Structure of 5-Bromo-2,3-dimethylpyridine
CAS No.: 27063-90-7
*Storage: {[sel_prStorage]}
*Shipping: {[sel_prShipping]}
The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
4.5
*For Research Use Only !
Change View
Size | Price | VIP Price | US Stock |
Global Stock |
In Stock | ||
{[ item.pr_size ]} |
Inquiry
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.discount_usd) ]} {[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} |
Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]} | Inquiry {[ item.pr_usastock ]} In Stock Inquiry - | {[ item.pr_chinastock ]} {[ item.pr_remark ]} In Stock 1-2 weeks - Inquiry - | Login | - + | Inquiry |
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
1-2weeks
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price, item.pr_usd) ]}
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
In Stock
- +
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
CAS No. : | 27063-90-7 |
Formula : | C7H8BrN |
M.W : | 186.05 |
SMILES Code : | BrC1=CN=C(C(=C1)C)C |
MDL No. : | MFCD11656270 |
InChI Key : | PVWAMZCIAHXKJP-UHFFFAOYSA-N |
Pubchem ID : | 11446762 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Num. heavy atoms | 9 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.29 |
Num. rotatable bonds | 0 |
Num. H-bond acceptors | 1.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 41.87 |
TPSA ? Topological Polar Surface Area: Calculated from |
12.89 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
2.09 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
2.31 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
2.46 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
1.91 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
2.94 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
2.34 |
Log S (ESOL):? ESOL: Topological method implemented from |
-2.94 |
Solubility | 0.213 mg/ml ; 0.00114 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-2.22 |
Solubility | 1.12 mg/ml ; 0.00604 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-3.65 |
Solubility | 0.0415 mg/ml ; 0.000223 mol/l |
Class? Solubility class: Log S scale |
Soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
High |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
Yes |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
Yes |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
No |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
No |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-5.79 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
Ghose? Ghose filter: implemented from |
None |
Veber? Veber (GSK) filter: implemented from |
0.0 |
Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
Muegge? Muegge (Bayer) filter: implemented from |
2.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
0.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<1.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.49 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
8.3 g | Stage #1: at 150℃; Stage #2: at 20℃; |
Step 1. Synthesis of 5-bromo-2,3-dimethyl-pyridine To a stirred solution of 2,3-dimethyl-pyridine (6.79 mL, 60 mmol) in fuming sulfuric acid (80 mL) held at 150° C. in a round bottom flask fitted with a water cooled reflux condenser and a calcium chloride filled drying tube, was added, dropwise, bromine (3.1 mL, 60 mmol) over 2 hr. The resulting dark red solution was stirred for 16 hr then cooled to room temperature and allowed to stand overnight. This mixture was poured into approximately 400 g of ice. This mixture was brought to pH 12 with cooling in an ice bath. The resulting mixture was extracted with ether and the ether extract washed with brine, dried over magnesium sulfate and concentrated under reduced pressure. The residue was purified by silica chromatography (50 g silica, eluted with 2-20percent ethyl acetate in hexanes) to give the title compound (8.3 g) as a colorless oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Cold 0.88 ammonia (344mL, 6. 2MOL) was added to 5-bromo-2, 3-dimethylpyridine (Zeitschrift fur Chemie 28; 2; 1988; 59-60) (35. 1 G, 188. 6mmol) and copper oxide (330mg, 2. 3MMOL) and the mixture stirred vigorously then transferred to a sealed vessel and allowed to stand at 100C for 18 hours. The mixture was cooled to 10C, the pH adjusted to 10, using 2M sulphuric acid, and the mixture extracted with ethyl acetate. The combined organic extracts were washed with brine, dried over sodium sulphate and concentrated IN VACUO. The product was dissolved in ether, the solution cooled to 0C, and 1 M hydrochloric acid added dropwise. The resulting mixture was stirred for 30 minutes, the precipitate filtered off, washed with ether and dried in vacuo to afford the title compound, 32.9g. 'H NMR (DMSO-d6, 400MHZ) 8 : 2.23 (s, 3H), 2.50 (s, 3H), 7.10-7. 80 (m, 5H). LRMS: m/z ES+ 123.6 [MH] + |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; | EXAMPLE 21A Preparation of <strong>[27063-90-7]5-bromo-2,3-lutidine</strong>-N-oxide m-Chloroperbenzoic acid (71.42 g) in dichloromethane (11) was added dropwise to a stirred solution of <strong>[27063-90-7]5-bromo-2,3-lutidine</strong> (70.0 g) over I hour. After 23 hours the solution was cooled to 15 and ammonia gas bubbled through to give a white precipitate, which was filtered off. The filtrate was washed with 5% aqueous sodium sulphite, dried, and stripped to give <strong>[27063-90-7]5-bromo-2,3-lutidine</strong>-N-oxide, 61.78 g, m.p. 80-2, from ethyl acetate. | |
With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; | Example 21A Preparation of <strong>[27063-90-7]5-bromo-2,3-lutidine</strong>-N-oxide m-Chloroperbenzoic acid (71.42 g) in dichloromethane (1l) was added dropwise to a stirred solution of 5-bromo-2,3- lutidine (70.0g) over 1 hour. After 23 hours the solution was cooled to 15 and ammonia gas bubbled through to give a white precipitate, which was filtered off. The filtrate was washed with 5% aqueous sodium sulphite, dried, and stripped to give <strong>[27063-90-7]5-bromo-2,3-lutidine</strong>-N-oxide, 61.78 g, m.p. 80-2, from ethyl acetate. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With bromine; | EXAMPLE 25 2,3-Dimethylpyridine is treated with bromine in oleum to give a 3-bromo-5,6-dimethylpyridine which is converted into a Grignard reagent, and this is treated with ethyl orthoformate and the product hydrolyzed to give 5,6-dimethylpyridine-3-carboxaldehyde. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | copper(l) iodide; In 1-methyl-pyrrolidin-2-one; at 200℃; for 1h; | 20 mg (0.1 mmol) of copper(I) iodide and 0.1 g (0.72 mmol) of potassium carbonate were added to a mixed solution of 0.17 g (0.91 mmol) of 5-bromo-1, 2-dimethyl pyridine, 0.1 g (0.45 mmol) of 3, 3, 4, 4-tetramethyl-5-fluoro-3, 4-dihydro-2-quinolinone and 0.13 g (1.3 mmol) ofN-methyl-2-pyrrolidone followed by heating the entire mixture for 1 hour at 200C. After cooling the reaction mixture to room temperature, water was added to extract with ethyl acetate followed by washing with water. The organic layer was dried by addition of anhydrous magnesium sulfate followed by distilling off the solvent under reduced pressure. The resulting residue was purified by silica gel column chromatography (developing solvent: n-hexane:ethyl acetate = 1:1 (volume ratio)) to obtain 0.12 g of the target compound (yield: 80%). The physical property of the compound was amorphous. 1 H-NMR(300MHz, CDCl3) delta ppm; 1.1-1.7(12H, m), 2.32(3H, s), 2.56(3H, s), 6.13(1H, d, J=8.4Hz), 6.74(1H, m), 6.97(1H, m), 7.25(1H, s), 8.12(1H, s) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 82℃; for 4h; | Step 2. Synthesis of 5-bromo-2,3-bis(bromomethyl)pyridine To a solution of <strong>[27063-90-7]5-bromo-2,3-dimethyl-pyridine</strong> (8.3 g, 44.6 mmol) in CCl4 (120 mL) was added N-bromo-succinimide (16.77 g, 93.7 mmol) followed by AIBN (167 mg, 1 mmol). The resulting solution was heated to 82 C. and stirred at this temperature for 2 hr. To this mixture was added AIBN (167 mg, 1 mmol). This mixture was stirred for a further 2 hr at 82 C. then cooled to room temperature. The solid precipitate was removed by filtration and the filtrate concentrated under reduced pressure. The residue was purified by silica chromatography (50 g silica, eluted with 2-20% ethyl acetate in hexanes) to give the title compound as a mixture with starting material and tri-brominated derivative. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
8.3 g | Step 1. Synthesis of 5-bromo-2,3-dimethyl-pyridine To a stirred solution of 2,3-dimethyl-pyridine (6.79 mL, 60 mmol) in fuming sulfuric acid (80 mL) held at 150 C. in a round bottom flask fitted with a water cooled reflux condenser and a calcium chloride filled drying tube, was added, dropwise, bromine (3.1 mL, 60 mmol) over 2 hr. The resulting dark red solution was stirred for 16 hr then cooled to room temperature and allowed to stand overnight. This mixture was poured into approximately 400 g of ice. This mixture was brought to pH 12 with cooling in an ice bath. The resulting mixture was extracted with ether and the ether extract washed with brine, dried over magnesium sulfate and concentrated under reduced pressure. The residue was purified by silica chromatography (50 g silica, eluted with 2-20% ethyl acetate in hexanes) to give the title compound (8.3 g) as a colorless oil. | |
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; disulfuric acid; at 10 - 105℃; for 2h; | To a stirred solution of 2,3-dimethylpyridine (1 Og, 0.09mol) in oleum 65% (30ml_) at 10C DBDMH (14.5g, 0,05mol) was added. There after the exothermic reactions started. The reaction mixture was then heated at 105C for 2h. After cooling to room temperature, the mixture was poured onto ice (150g) and the ph adjusted to 12 with aqueous sodium hydroxide solution. The product was extractedinto MTBE (3x100ml_), the organic phases were dried with MgS04 and evaporated under reduced pressure to give 5-bromo-2,3-dimethylpyridine as yellow oil (. Purity acc. to GC 87.3%; yield: 83.3%. | |
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; fuming sulphuric acid; at 10 - 105℃; for 2h; | To a stirred solution of 2,3-dimethylpyridine (20g, 0.185mol) in oleum 65% (60ml_) at 10C DBDMH (31.7g, 0,11 mol) was added. There after the exothermic reactions started. The reaction mixture was then heated at 105C for 2h. After cooling to room temperature, the mixture was poured onto ice (250g) and the ph adjusted to 12 with aqueous sodium hydroxide solution. The product was extracted into MTBE (3x100ml_), the organic phases were dried with MgS04 and evaporated under reduced pressure to give 5-bromo-2,3-dimethylpyridine as yellow oil (34.3g). Purity acc. to GC 87.0%; yield: 86.7%. |
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; fuming sulfuric acid; at 10 - 105℃; for 2h; | To a stirred solution of 2,3-dimethylpyridine (1 Og, 0.09mol) in oleum 65% (30mL) at 10C DBDMH (14.5g, 0,05mol) was added. There after the exothermic reactions started. The reaction mixture was then heated at 105C for 2h. After cooling to room temperature, the mixture was poured onto ice (150g) and the ph adjusted to 12 with aqueous sodium hydroxide solution. The product was extracted into MTBE (3x100mL), the organic phases were dried with MgS04 and evaporated under reduced pressure to give 5-bromo-2,3-dimethylpyridine as yellow oil (. Purity acc. to GC 87.3%; yield: 83.3%. | |
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; fuming sulphuric acid; at 10 - 105℃; for 2h; | To a stirred solution of 2,3-dimethylpyridine (1 Og, 0.09mol) in oleum 65% (30ml_) at 10C DBDMH (14.5g, 0,05mol) was added. There after the exothermic reactions started. The reaction mixture was then heated at 105C for 2h. After cooling to room temperature, the mixture was poured onto ice (150g) and the ph adjusted to 12 with aqueous sodium hydroxide solution. The product was extracted into MTBE (3x100ml_), the organic phases were dried with MgS04 and evaporated under reduced pressure to give 5-bromo-2,3-dimethylpyridine as yellow oil (. Purity acc. to GC 87.3%; yield: 83.3%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37% | To a solution of magnesium (71 ,9 mg, 0,003 mol) and LiCI (125,3 mg, 0,003 mol) under Ar ath- mosphere in 0.5 ml. THF, 0.7 ml. of 1 M DIBALH solution were added at 0 C. The reaction mix- ture was stirred for 10 min, <strong>[27063-90-7]5-bromo-2,3-dimethylpyridine</strong> (500 mg, 2,7 mmol) was slowly added (exothermic reaction). After 2 h at rt, this mixture was added to a solution of 3,3-dimethyl-1 - phenylsulfanyl-4H-isoquinoline (97,6 mg, 0,37 mmol) and 2,4 mg from NiC (PPh3)2 in 2.5 mL THF under Ar atmosphere at 0C. The final mixture was allowed to react overnight at rt. Cold water and MTBE were added, the aq. phase was extracted 3 times with MTBE. The combined org. phase were dried over Na2S04 and concentrated. The residue was purified by silica gel column chromatography (EtOAc/Heptane) giving 40 mg of the titled compound (37%) as colorless oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
To a solution of magnesium (71 ,9 mg, 0,003 mol) and LiCI (125,3 mg, 0,003 mol) under Ar athmosphere in 0.5 mL THF, 0.7 mL of 1 M DIBALH solution were added at 0 C. The reaction mixture was stirred for 10 min, <strong>[27063-90-7]5-bromo-2,3-dimethylpyridine</strong> (500 mg, 2,7 mmol) was slowly added (exothermic reaction). After 2 h at rt, this mixture was added to a solution of 4,4-difluoro- 3,3-dimethyl-1 -phenylsulfanyl-isoquinoline (103,0mg, 0,34 mmol) and 1 1 mg from NiC (PPh3)2 in 0.5 mL THF under Ar atmosphere at 0C. The final mixture was allowed to react overnight at rt. Cold water and MTBE were added, the aq. phase was extracted 3 times with MTBE. The combined org. phase were dried over Na2S04 and concentrated. The residue was purified by MPLC (water/acetonitrile) giving 26,3 mg of the titled compound (26%, 85% purity) as brown oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | To a flask with magnesium (0,387 g, 16 mmol) and LiCI (0,7 g, 16,0 mmol) under Ar ath- mosphere, 5 mL of 1 M DIBALH solution were added. The reaction mixture was stirred for 10 min at 0 C, <strong>[27063-90-7]5-bromo-2,3-dimethylpyridine</strong> (2,7 g, 14,5 mmol) was slowly added (exothermic reaction). The reaction mixture was allowed to warm to rt and stirred for 2h. At rt, a 9 mL solution of 4,4-difluoro-3,3-dimethyl-isoquinoline 2-oxide (3,1 g, 14,5 mmol) in THF was added over the mixture, the reaction was controlled below 30 C using an ice bath. After 1 ,5 h, a mixture of 150 mL cold water and 100 mL MTBE were added, the aq. phase was extracted 3 times with MTBE. The combined org. phase were filtrated throught celite, dried over Na2S04 and concentrated. The crude was purified via silica gel column chromatography (heptane/diisopropylether) to yield 2,2 g (48 %) of the title compound as a brown oil (1895) H-NMR(CDCI3, delta in ppm): 8,3 (br s, 1 H); 8,1 (s, 1 H); 7,7 (d, 1 H); 7,3 (dd, 1 H), 7,2 (dd, 1 H); 7,1 (s, 1 H), 6,6 (d, 1 H); 4,8 (d, 1 H); 2,2 (s, 3H); 2,1 (s, 3H); 1 ,6 (s, 3H); 1 ,2 (s, 3H). (1896) HPLC/MS: 0,884 min; M++H=319,0 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
9% | To a solution of magnesium (71 ,9 mg, 0,003 mol) and LiCI (125,3 mg, 0,003 mol) under Ar ath- mosphere in 0.5 ml. THF, 0.7 ml. of 1 M DIBALH solution were added at 0 C. The reaction mixture was stirred for 10 min, <strong>[27063-90-7]5-bromo-2,3-dimethylpyridine</strong> (500 mg, 2,7 mmol) was slowly added (exothermic reaction). After 2 h at rt, this mixture was added to a solution of 3,3-dimethyl-1 -me- thylsulfanyl-4H-isoquinoline (97,6 mg, 0,47 mmol) and 3.1 mg from NiCI2(PPh3)2 in 2.5 ml. THF under Ar atmosphere at 0C. The final mixture was allowed to react overnight at rt. Cold water and MTBE were added, the aq. phase was extracted 3 times with MTBE. The combined org. phase were dried over Na2S04 and concentrated. 100 mg of the tittle compound were isolated (9 %) as a brown oil |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
To a solution of magnesium (53,9 mg, 0,002 mol) and LiCI (94, o mg, 0,002 mol) under Ar ath- mosphere in 0.5 mL THF, 0.5 mL of 1 M DIBALH solution were added at 0 C. The reaction mixture was stirred for 10 min, <strong>[27063-90-7]5-bromo-2,3-dimethylpyridine</strong> (375,1 mg, 2,0 mmol) was slowly added (exothermic reaction). After 2 h at rt, this mixture was added to a solution of 1 -benzyl- sulfanyl-3,3-dimethyl-4H-isoquinoline (97,6 mg, 0,34 mmol) and 2,3 mg from NiCl2(PPh3)2 in 2.5 mL THF under Ar atmosphere at 0C. The final mixture was allowed to react overnight at rt. Cold water and MTBE were added, the aq. phase was extracted 3 times with MTBE. The combined org. phase were dried over Na2S04 and concentrated. 200 mg of the title compound (15%) were isolated and used at the next step without further purification. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
45% | With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; copper(I) bromide; In 1-methyl-pyrrolidin-2-one; at 130℃; for 20h;Molecular sieve; | To a solution of potassium 3,3-dimethyl-4H-isoquinoline-1 -carboxylate (3,1 g, 12,9 mmol), 5- bromo-2,3-methyl-pyridine (2 g, 10,8 mmol), CuBr (0,23 g, 1 ,6 mmol) and Pd(dppf) Cl2 (0,157 g, 0,1 mmol) in 50 ml. NMP, molecular sieves was added. After 20 h at 130 C, a NaHCOs sol. and CH2CI2 were added. The aq. phase was extracted with CH2CI2 and EtOAc. The combined org. phases were washed with a sat. LiCI and sat. NaCI sol., dried and concentrated. 1 ,27 g of the tittled compound (45%) were isolated. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
34% | A mixture of 2,2-dimethyl-4H-i ,4-benzothiazin-3-one (195 mg, 1 .0 mmol) in (H30)250 (4 mL)was treated with K2003 (i 72 mg, i .2 mmol) and Cul (20 mg, 0.i mmol) and stirred at 25 00 for30 mi <strong>[27063-90-7]5-Bromo-2,3-dimethyl-pyridine</strong> (250 mg, i .3 mmol) was added and the mixture wasstirred for 5 h at i 75 00 Water was added and the the mixture was extracted with TBME three times. The combined organic phases were washed with water and brine, dried over Na2504 and evaporated. Purification via column chromatography (gradient: n-heptane -* ethyl acetate) gave the tittle compound (i04 mg, 34%) as a colorless oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | With trichloroisocyanuric acid; acetic acid; at 25 - 75℃; for 12h;Large scale; | To a stirred solution of <strong>[27063-90-7]5-bromo-2,3-dimethylpyridine</strong> (250g, 1 ,34mol) in acetic acid (2500ml_) trichloroisocyanuric acid (234, 2g, 1 ,01 mol) was added at 25C. Afterwards the reaction mixture was heated at 75C for 12h upon stirring. After cooling to room temperature, the mixture was filtrated. The solvent of the filtrate was evaporated under reduced pressure (70C, 40mbar). Thereafter, the residue was solvedin 1000 ml ethyl acetate and washed three times with aque- ous 10 % sodium hydroxide solution. The organic phase was dried with Na2S04 and evaporated under reduced pressure to give 5-bromo-2-(dichloromethyl)-3-methyl-pyridine as a yellow solid (342g). (0425) This reaction was carried out four times as described above using a total of 1 kg (5,37 mol) 5- bromo-2,3-dimethylpyridin. The resulting crude products were dissolvedin dichloromethane and combined and the solvent was distilled off under vacuum. The residue was taken up in 500 ml of n-heptane and the mixture was stirred at 60C until all solids had dissolved. Afterwards the mixture was allowed to cool down to room temperature. The title compound crystallized out and stirring was continued over night. Afterwards the mixture was cooled with an ice/water-bath and the precipitated crystals were filtered off to yield 1053 g (purity 97 % (GC), 4,13 mol, 75 % of theory) of 5-bromo-2-(dichloromethyl)-3-methyl-pyridine (mp = 61 C). (0426) The mother liquor was evaporated to yield further 283 g (purity 62 % (GC)) of the title compound. |
With trichloroisocyanuric acid; acetic acid; at 25 - 75℃; for 12h; | To a stirred solution of <strong>[27063-90-7]5-bromo-2,3-dimethylpyridine</strong> (250g, 1 ,34mo1) in acetic acid (2500mL) trichloroisocyanuric acid (234,2g, 1,01 mol) was added at 25C. Afterwards the reaction mixturewas heated at 75C for 12h upon stirring. After cooling to room temperature, the mixture was filtrated. The solvent of the filtrate was evaporated under reduced pressure (70C, 40mbar). Thereafter, the residue was solved in 1000 ml ethyl acetate and washed three times with aqueous 10 % sodium hydroxide solution. The organic phase was dried with Na2504 and evaporated under reduced pressure to give 5-bromo-2-(dichloromethyl)-3-methyl-pyridine as a yellow solid(342g).This reaction was carried out four times as described above using a total of 1 kg (5,37 mol) 5- bromo-2,3-dimethylpyridin. The resulting crude products were dissolved in dichloromethane and combined and the solvent was distilled off under vacuum. The residue was taken up in 500 ml of n-heptane and the mixture was stirred at 60C until all solids had dissolved. Afterwards themixture was allowed to cool down to room temperature. The title compound crystallized out andstirring was continued over night. Afterwards the mixture was cooled with an ice/water-bath and the precipitated crystals were filtered off to yield 1053 g (purity 97 % (GO), 4,13 mol, 75 % of theory) of 5-bromo-2-(d ichloromethyl)-3-methyl-pyridine (mp = 6100).The mother liquor was evaporated to yield further 283 g (purity 62 % (GO)) of the titlecompound.1HNMR (0D013): 2.6ppm (s, 3H, OH3); 6.8ppm (s, 1H, OHOI2); 7.7ppm (s, 1H, OH); 8.5ppm (s,1H, OH | |
With trichloroisocyanuric acid; acetic acid; at 25 - 75℃; for 3h; | To a stirred solution of <strong>[27063-90-7]5-bromo-2,3-dimethylpyridine</strong> (100g, 0.54mol) in acetic acid (lOOOmL) at 25C trichloroisocyanuric acid (93. Og, 0.4mol) was added. The reaction mixture was then heat- ed at 75C for 12h. After cooling to room temperature, the mixture was filtrated. The solvent of the filtrate was evaporated under reduced pressure (70C, 40mbar). Thereafter, the product was solved in l OOOmL ethyl acetetate and washed two times with aqueous sodium hydroxide solution. The organic phases were dried with MgS04 and evaporated under reduced pressure to give 5-bromo-2-(dichloromethyl)-3-methyl-pyridine as white solid (130.0g). Purity acc. to GC 88.0%; yield: 84.0%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; copper(I) bromide; In 1-methyl-pyrrolidin-2-one; toluene; at 70 - 122℃;Inert atmosphere; | 2,9 g (1 1 ,8 mmol) (4,4-Difluoro-3,3-dimethylisoquinoline-1 -carbonyl)oxylithium and 2,0 g (10,75 mmol) 5-bromo-2, 3-dimethyl-pyridine in 50 ml toluene/N-methyl-pyrrolidone 3:2 where heated at 70C upon stirring and a light stream of argon was passed over this mixture. Subsequently 0,231 g (1 ,6 mmol) copper(l)bromide and 0,145 g (0,18 mmol) Pd(dppf)Cl2 x CH2CI2 ([1 ,1 bis(diphenylphosphino)ferrocene]dichloropalladium(ll), complex with dichloromethane) were added and the mixture was heated to reflux (122C) over night. (0394) Afterwards the volatiles were evaporated and the residue was taken up in methyl-t-butylether This heterogenous mixture was put on top of a short silica column which was eluted with me- thyl-t-butylether. The combined fractions were extracted with diluted ammonia solution and lithi- um chloride solution. The volatiles were evaporated to yield 3,2 g (purity (HPLC) 86 %, yield 85 %) of the title compound as a brown oil, which crystallized upon standing. 1H-NMR (CDCIs, din ppm): (0396) 8,52 (s, 1 H); 7,83 (d, 1 H); 7,67 (s, 1 H); 7,62 (t, 1 H); 7,52, (t, 1 H); 7,3 (d, 1 H); 2,55 (s, 3H); 2,35 (s, 3H); 1 ,4 (s, 6H) (0397) HPLC-MS: HPLC-column Kinetex XB C18 1 ,7m (50 x 2,1 mm); eluent: acetonitrile / water + 0.1 % TFA (5 gradient from 5:95 to 100 : 0 in 1 .5 min at 60C, flow gradient from 0.8 to 1.0 ml/min in 1 .5 min). MS: Quadrupol Electrospray Ionisation, 80 V (positive mode). (0398) M++H=301 (Rt=0.889 min) | |
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; copper(I) bromide; In 1-methyl-pyrrolidin-2-one; toluene; at 70 - 122℃;Inert atmosphere; | 2,9 g (1 1 ,8 mmol) (4,4-Difluoro-3,3-dimethyl-isoquinoline-1-carbonyl)oxylithium and 2,0 g (10,75 mmol) 5-bromo-2, 3-dimethyl-pyridine in 50 ml toluene/N-methyl-pyrrolidone 3:2 where heated at 70C upon stirring and a light stream of argon was passed over this mixture. Subsequently 0,231 g (1 ,6 mmol) copper(l)bromide and 0,145 g (0,18 mmol) Pd(dppf)Cl2 x CH2CI2 ([1 ,1 bis(diphenylphosphino)ferrocene]dichloropalladium(ll), complex with dichloromethane) were added and the mixture was heated to reflux (122C) over night. (0317) Afterwards the volatiles were evaporated and the residue was taken up in methyl-t-butylether This heterogenous mixture was put on top of a short silica column which was eluted with me- thyl-t-butylether. The combined fractions were extracted with diluted ammonia solution and lithi- um chloride solution. The volatiles were evaporated to yield 3,2 g (purity (HPLC) 86 %, yield 85 %) of the title compound as a brown oil, which crystallized upon standing. (0318) 1H-NMR (CDCI3, d in ppm): (0319) 8,52 (s, 1 H); 7,83 (d, 1 H); 7,67 (s, 1 H); 7,62 (t, 1 H); 7,52, (t, 1 H); 7,3 (d, 1 H); 2,55 (s, 3H); 2,35 (s, 3H); 1 ,4 (s, 6H) (0320) HPLC-MS: HPLC-column Kinetex XB C18 1 ,7m (50 x 2,1 mm); eluent: acetonitrile / water + (0321) 0.1 % TFA (5 gradient from 5:95 to 100 : 0 in 1.5 min at 60C, flow gradient from 0.8 to 1.0 ml/min in 1.5 min). MS: Quadrupol Electrospray Ionisation, 80 V (positive mode). (0322) M++H=301 (Rt=0.889 min) | |
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; copper(I) bromide; In 1-methyl-pyrrolidin-2-one; at 150℃; for 3h;Inert atmosphere; | To a suspension of 5-brom-1 ,3-dimethylpyridin (7,805g; 40,693mmol) and (4,4-difluoro-3,3- dimethyl-isoquinoline-1-carbonyl)oxylithium (9,976g; 40,693mmol) in 100 mL of dry N-methyl- pyrrolidone under N2 was added CuBr (875, 6mg; 6,104mmol), Pd(dppf)Cl2 (664, 6mg; 0,814mmol) and 902, 4mg (1 ,628mmol) dppf x CH2CI2 ([1 , 1 '- bis(diphenylphosphino)ferrocene]dichloropalladium(ll), complex with dichloromethane). The reaction mixture was heated to 150C and stirred for 3h. After the reaction was complete (HPLC) the mixture was cooled to 10C. Subsequently 100 ml of 5 molar hydrochloric acid was slowly added via dropping funnel. The aqueous layer was extracted twice with 100 ml n-heptane each and the organic layers were discarded. 300 ml n-Heptane was added to the aqueous layer and the solution was basified with 50 % so- dium hydroxide solution to pH = 10 at 25C. A solid residue precipitated which was filtered off, washed with n-heptane (3x50 ml) and discarded. Afterwards the layers were separated and the aqueous layer was extracted with n-heptane (2 x 300ml_). The combined organic layers were dried over Na2S04, the drying agent was filtered off and the volatiles were evaporated to obtain 1 1 ,1 g of the title compound as orange crystals. Recrystallisation from heptane yielded 8,05g beige crystals (purity 93,5 % (quant. 1H-NMR), yield 61 ,6%). Purification via column chromatography with cyclohexane/ethyl acetate mixtures afforded 1 -(5, 6-dimethyl-3-pyridyl)-4,4-difluoro-3, 3-dimethyl-isoquinoline as white crystals, mp = 104 - 105C. 1H-NMR (CDCI3, d in ppm): 8,52 (s, 1 H); 7,83 (d, 1 H); 7,67 (s, 1 H); 7,62 (t, 1 H); 7,52, (t, 1 H); 7,3 (d, 1 H); 2,55 (s, 3H); 2,35 (s, 3H); 1 ,4 (s, 6H) |
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; copper(I) bromide; In 1-methyl-pyrrolidin-2-one; toluene; at 70 - 122℃;Inert atmosphere; | 2,9 g (1 1,8 mmol) (4,4-Difluoro-3,3-dimethyl-isoquinoline-1 -carbonyl)oxylithium and 2,0 g (10,75 mmol) <strong>[27063-90-7]5-bromo-2,3-dimethyl-pyridine</strong> in 50 ml toluene/N-methyl-pyrrolidone 3:2 where heated at 70C upon stirring and a light stream of argon was passed over this mixture. Subsequently 0,231 g (1,6 mmol) copper(l)bromide and 0,145 g (0,18 mmol) Pd(dppf)Cl2 x CH2CI2 ([1,1 bis(diphenylphosphino)ferrocene]dichloropalladium(ll), complex with dichloromethane) were added and the mixture was heated to reflux (122C) over night. Afterwards the volatiles were evaporated and the residue was taken up in methyl-t-butylether This heterogenous mixture was put on top of a short silica column which was eluted with me- thyl-t-butylether. The combined fractions were extracted with diluted ammonia solution and lithi- um chloride solution. The volatiles were evaporated to yield 3,2 g (purity (HPLC) 86 %, yield 85 %) of the title compound as a brown oil, which crystallized upon standing. 1H-NMR (CDCIs, d in ppm): 8,52 (s, 1H); 7,83 (d, 1H); 7,67 (s, 1H); 7,62 (t, 1H); 7,52, (t, 1H); 7,3 (d, 1H); 2,55 (s, 3H); 2,35 (s, 3H); 1,4 (s, 6H) HPLC-MS: HPLC-column Kinetex XB C18 1,7m (50 x 2,1 mm); eluent: acetonitrile / water + 0.1 % TFA (5 gradient from 5:95 to 100 : 0 in 1.5 min at 60C, flow gradient from 0.8 to 1.0 ml/min in 1.5 min). MS: Quadrupol Electrospray Ionisation, 80 V (positive mode). M++H=301 (Rt=0.889 min) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; copper(I) bromide; In 1-methyl-pyrrolidin-2-one; toluene; at 70 - 122℃;Inert atmosphere; | 2,43 g (9,9 mmol) (4,4-Difluoro-3,3-dimethylisoquinoline-1 -carbonyl)oxylithium and 2,0 g (10,75 mmol) 5-bromo-2, 3-dimethyl-pyridine in 50 ml toluene/N-methyl-pyrrolidone 3:2 where heated at 70C upon stirring and a light stream of argon was passed over this mixture. Subsequently 0,194 g (1 ,35 mmol) copper(l)bromide and 0,122 g (0,15 mmol) Pd(dppf)Ch x CH2CI2 ([1 ,1 bis(diphenylphosphino)ferrocene]dichloropalladium(ll), complex with dichloromethane) were added and the mixture was heated to reflux (122C) over night. (0402) Afterwards the volatiles were evaporated and the residue was taken up in methyl-t-butylether This heterogenous mixture was put on top of a short silica column which was eluted with me- thyl-t-butylether. The combined fractions were extracted with diluted ammonia solution and lithi- um chloride solution. The volatiles were evaporated and the residue was purified via column chromatographie with heptane/methyl-t-butylether-mixtures to yield 2 g (5,9 mmol; yield 68 %) of the title compound as a light brown oil. (0403) 1H-NMR (CDCI3, din ppm): (0404) 8,65 (s, 1 H); 7,87 (d, 1 H); 7,83 (s, 1 H); 7,67 (t, 1 H); 7,55 (t, 1 H); 7,25, (d, 1 H); 6,75 (t, 1 H); 2,58 (s, 3H); 1 ,4 (s, 6H) (0405) HPLC-MS: HPLC-column Kinetex XB C18 1 ,7m (50 x 2,1 mm); eluent: acetonitrile / water + (0406) 0.1 % TFA (5 gradient from 5:95 to 100 : 0 in 1 .5 min at 60C, flow gradient from 0.8 to 1.0 ml/min in 1 .5 min). MS: Quadrupol Electrospray Ionisation, 80 V (positive mode). (0407) M++H=337 (Rt=1 ,243 min) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
To a solution of bis(isopropyl)amine (4.9 g, 0.049 mol) in anhydrous THF (30 mL) was added n-BuLi (21.6 mL, 2.0 M in THF) at -65 C and the mixture was stirred for 1 h under argon. After that, a solution of 5 -bromo-2 , 3 -dim ethyl-pyridine (5.0 g, 0.027 mol, compound B2.1) in anhydrous THF (10.0 mL) was added slowly and the resulting mixture was stirred for another 1 h under argon. Then, a solution of diethyl 2-(ethoxymethylene)propanedioate (8.8 g, 0.041 mol, compound B2.1A) in anhydrous THF (10.0 mL) was added slowly and the combined reaction mixture was stirred for another 1 h under argon. The reaction mixture was poured into aq. NH4Cl solution (100 mL) and extracted by EtOAc (100 mL) three times. The combined organic layer was washed with brine, dried over anhy. Na2S04, filtered, and concentrated in vacuo to give a crude product of diethyl 2-(2-(5 -bromo-3 -methylpyridin-2-yl)- 1 -ethoxyethylidene)malonate (6.5 g, 60.2% yield). MS (ESI): 402.0 ({79Br} M+H)+, 404.0 ({81Br} M+H)+. It was used directly in the next step without further purification. |
Tags: 27063-90-7 synthesis path| 27063-90-7 SDS| 27063-90-7 COA| 27063-90-7 purity| 27063-90-7 application| 27063-90-7 NMR| 27063-90-7 COA| 27063-90-7 structure
A126019 [156072-86-5]
5-Bromo-3-methylpicolinonitrile
Similarity: 0.88
A126019 [156072-86-5]
5-Bromo-3-methylpicolinonitrile
Similarity: 0.88
Precautionary Statements-General | |
Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
P103 | Read label before use |
Prevention | |
Code | Phrase |
P201 | Obtain special instructions before use. |
P202 | Do not handle until all safety precautions have been read and understood. |
P210 | Keep away from heat/sparks/open flames/hot surfaces. - No smoking. |
P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
P235 | Keep cool |
P240 | Ground/bond container and receiving equipment. |
P241 | Use explosion-proof electrical/ventilating/lighting/equipment. |
P242 | Use only non-sparking tools. |
P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
Home
* Country/Region
* Quantity Required :
* Cat. No.:
* CAS No :
* Product Name :
* Additional Information :
Total Compounds: mg
The concentration of the dissolution solution you need to prepare is mg/mL