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Structure of 4333-56-6
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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.
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CAS No. : | 4333-56-6 |
Formula : | C3H5Br |
M.W : | 120.98 |
SMILES Code : | BrC1CC1 |
MDL No. : | MFCD00001271 |
InChI Key : | LKXYJYDRLBPHRS-UHFFFAOYSA-N |
Pubchem ID : | 78037 |
GHS Pictogram: |
![]() ![]() |
Signal Word: | Danger |
Hazard Statements: | H225-H315-H319-H335 |
Precautionary Statements: | P210-P261-P305+P351+P338 |
Class: | 3 |
UN#: | 1993 |
Packing Group: | Ⅱ |
Num. heavy atoms | 4 |
Num. arom. heavy atoms | 0 |
Fraction Csp3 | 1.0 |
Num. rotatable bonds | 0 |
Num. H-bond acceptors | 0.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 22.29 |
TPSA ? Topological Polar Surface Area: Calculated from |
0.0 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
1.74 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
1.54 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
1.48 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
1.63 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
1.98 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
1.67 |
Log S (ESOL):? ESOL: Topological method implemented from |
-1.56 |
Solubility | 3.33 mg/ml ; 0.0275 mol/l |
Class? Solubility class: Log S scale |
Very soluble |
Log S (Ali)? Ali: Topological method implemented from |
-1.15 |
Solubility | 8.58 mg/ml ; 0.0709 mol/l |
Class? Solubility class: Log S scale |
Very soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-1.28 |
Solubility | 6.31 mg/ml ; 0.0521 mol/l |
Class? Solubility class: Log S scale |
Soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
Low |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
No |
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) |
No |
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 |
-5.94 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 |
3.0 |
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 |
1.0 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) |
2.57 |
* 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 |
---|---|---|
68% | With caesium carbonate In N,N-dimethyl-formamide at 180℃; for 1.5 h; Microwave irradiation | Step 1 : 4-Bromo- 1 -cyc A mixture of 4-bromo-lH-pyrrazole (1.0 g, 6.8 mmol), bromo cyclopropane (1.3 g, 10.7 mmol), cesium carbonate (3.5 g. 10.7 mmol), and DMF (6 mL) in a 30 mL microwave vial is heated to 180 °C under radiation for 1.5 hr. After cooled to room temperature, the reaction mixture is filtered. The filtrate is concentrated and the residue is purified on a silica gel flash chromatography with ethyl acetate/petroleum ether (1 :5) to get a brown liquid (0.87 g, 68percent yield). (MS: [M+l] 259) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With caesium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 150℃; | To a solution of 2-fluoro-5-trifluoromethyl phenol in DMF (2 mL) was added cyclopropyl bromide (2 eq.), Nal (1.0 mol %) and cesium carbonate (3 eq.). The reaction mixture was heated in a pressure tube at 150 C. overnight. The completion of the reaction was confirmed by LCMS. The reaction mixture was then diluted with ethyl acetate, washed with water and extracted with ethyl acetate (3×). The combined organic layer was dried over sodium sulfate, filtered, and concentrated to yield the crude product which was used in the next step without further purification. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With ammonium chloride; magnesium; In tetrahydrofuran; | EXAMPLE 5 (R)-1-(3-(9H-Tribenzo[a,c,e]cyclohepten-9-ylidene)-1-propyl)-3-piperidine-carboxylic acid hydrochloride STR7 A solution of cyclopropylmagnesium bromide in dry tetrahydrofuran (prepared from cyclopropylbromide (4.54 g, 37.5 mmol), magnesium turnings (0.91 g, 37.5 mmol) and dry tetrahydrofuran (30 ml)) was placed under an atmosphere of nitrogen. A solution of 9H-tribenzo[a,c,e]cyclohepten-9-one (1.92 g, 7.5 mmol) (prepared according to W. Tochtermann, Chem. Ber., 97, 1329 (1964)) in tetrahydrofuran (20 ml) was added dropwise and when addition was complete the mixture was heated at reflux temperature for 30 minutes. The reaction mixture was cooled on an ice-bath and saturated ammonium chloride (50 ml) was added carefully. The organic layer was separated and the aqueous phase extracted with diethyl ether (2*100 ml). The combined organic extracts were dried (MgSO4) and the solvent was evaporated in vacuo affording 2.69 g of 9-cyclopropyl-9H-tribenzo[a,c,e]cyclohepten-9-ol. | |
With ammonium chloride; magnesium; In tetrahydrofuran; | EXAMPLE 5 (R)-1-(3-(9H-Tribenzo[a,c,e]cyclohepten-9-ylidene)-1-propyl)-3-piperidine-carboxylic acid hydrochloride A solution of cyclopropylmagnesium bromide in dry tetrahydrofuran (prepared from cyclopropylbromide (4.54 g, 37.5 mmol), magnesium turnings (0.91 g, 37.5 mmol) and dry tetrahydrofuran (30 ml)) was placed under an atmosphere of nitrogen. A solution of 9H-tribenzo[a,c,e]cyclohepten-9-one (1.92 g, 7.5 mmol) (prepared according to W. Tochtermann, Chem.Ber., 97, 1329 (1964)) in tetrahydrofuran (20 ml) was added dropwise and when addition was complete the mixture was heated at reflux temperature for 30 minutes. The reaction mixture was cooled on an ice-bath and saturated ammonium chloride (50 ml) was added carefully. The organic layer was separated and the aqueous phase extracted with diethyl ether (2 x 100 ml). The combined organic extracts were dried (MgSO4) and the solvent was evaporated in vacuo affording 2.69 g of 9-cyclopropyl-9H-tribenzo[a,c,e]cyclohepten-9-ol. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogen bromide; magnesium; In tetrahydrofuran; water; acetic acid; | (a) To a suspension of 1.3 g of magnesium in 20 ml of anhydrous tetrahydrofuran, 8.0 g of cyclopropyl bromide in 15 ml of anhydrous tetrahydrofuran was added under nitrogen. The reaction mixture was kept under reflux for 1 h and then cooled to ambient temperature. To the reaction mixture 5.4 g of bis(thien-2-yl)ketone dissolved in 15 ml of anhydrous tetrahydrofuran was added dropwise. After refluxing for 30 min. the reaction mixture was chilled and 35 of a concentrated ammonium chloride solution was carefully added. To the resulting mixture 50 ml of water was added, and the suspension was extracted twice with 50 ml of ether. The ether extracts were washed with water, dried and evaporated leaving 7.6 g of an oil. The crude product was dissolved in 60 ml of acetic acid and a mixture of 30 ml of acetic acid and 15 ml of 48% hydrobromic acid was added at 5 C. The mixture was stirred for 30 min. and then poured into 300 ml of water. The resulting emulsion was extracted twice with 100 ml of ether. The ether extracts were washed with water, dried and evaporated leaving 8.5 g of an oil. From this oil, 5.2 g of 4,4-bis(thien-2-yl)but-3-enyl bromide having a boiling point (hereinafter b.p.) of 137 C. (0.05 mm Hg) was obtained by fractional distillation in vacuum. | |
With hydrogen bromide; magnesium; In tetrahydrofuran; water; acetic acid; | a) To a suspension of 1.3 g of magnesium in 20 ml of anhydrous tetrahydrofuran, 8.0 g of cyclopropyl bromide in 15 ml of anhydrous tetrahydrofuran was added under nitrogen. The reaction mixture was kept under reflux for 1 hour and then cooled to ambient temperature. To the reaction mixture, 5.4 g of di(thien-2-yl)ketone dissolved in 15 ml of anhydrous tetrahydrofuran was added dropwise. After refluxing for 30 minutes, the reaction mixture was chilled and 35 ml of a concentrated ammonium chloride solution was carefully added. To the resulting mixture, 50 ml of water was added and the suspension was extracted twice with 50 ml of ether. The ether extracts were washed with water, dried and evaporated leaving 7.6 g of an oil. The crude product was dissolved in 60 ml of acetic acid and a mixture of 30 ml of acetic acid and 15 ml of 48% hydrobromic acid was added at 5C. The mixture was stirred for 30 minutes and then poured into 300 ml of water. The resulting emulsion was extracted twice with 100 ml of ether. The ether extracts were washed with water, dried and evaporated leaving 8.5 g of an oil. From this oil, 5.2 g of 4,4-di(thien-2-yl)but-3-enyl bromide having a boiling point (hereinafter b.p.) of 137C (0.05 mm Hg) was obtained by fractional distillation in vacuum. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
8.82% | With potassium carbonate; In N,N-dimethyl-formamide; at 110℃; for 16h;Sealed tube; | To the stirred solution of lH-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> 19-4 (200 mg, 2.08 mmol) in DMF (2 ml) in a sealed tube were added potassium carbonate (719.19 mg, 5.20 mmol, 314.06 uL) and bromocyclopropane 19-5 (251.80 mg, 2.08 mmol, 166.76 uL). The reaction mixture was heated at H0C for 16 hours and then cooled to room temperature, diluted with ethyl acetate, washed with water, brine, dried over sodium sulfate and concentrated under reduced pressure. The crude material was purified by column chromatography to afford l-cyclopropylpyrazole-4-carbafdehyde 19-6 (25 mg, 183.62 umol, 8.82% yield) as gum. NMR (400 MHz, DMSO-d6) d 9.75 (s, 1H), 8.53 (s, 1H), 7.95 (s, 1 1 1 ), 3.86-3.82 (m, 1 1 1 ), 1. 10-1.08 (m, 2) 1 ).. 1.03-0.98 (m, 21 1). |
With potassium carbonate; In N,N-dimethyl-formamide; at 130℃; for 18h; | Preparation 54: 1 -Cyclopropyl- 1 H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong>Dissolve lH-<strong>[35344-95-7]pyrazole-4-carboxaldehyde</strong> in N,N-dimethylformamide (1.9 mL). Add potassium carbonate (0.539 g, 3.90 mmol) and cyclopropylbromide (0.346 g, 2.86 mmol). Heat in a pressure tube to 130 0C for 18 hr. Cool to ambient temperature and add DCM and water. Separate layers and extract water layer 3 times with DCM. Wash combined DCM layers with brine, dry (magnesium sulfate), filter, and concentrated to give the free base of the title preparation. GC-MS: m/z = 136 [M+]. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
62% | With triphenylphosphine;iodine; In tetrahydrofuran; hexane; ethyl alpha-hydroxycyclopropaneacetate; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; | Example 2 Synthesis of ethyl alpha-bromocyclopropaneacetate (46, R=c-Pr) A flame dried two-neck round bottom flask fitted with a reflux condenser and N2 outlet was charged with anhydrous THF, freshly activated Mg (120 mg, 4.95 mmol) and a catalytic amount of iodine. A small portion of cyclopropyl bromide dissolved in THF was added. After initiation of reflux, the reaction mixture was cooled to -20 C. and the remaining cyclopropyl bromide (500 mg, 4.13 mmol) was gradually added. After 30 min a freshly distilled solution of glyoxylate 45 (549 mg, 5.37 mmol) in THF was added over a 10 min period and the resulting solution was stirred at -20 C. for 2 h before being quenched with a small amount of water. After 10 min the reaction mixture was further diluted with water (50 mL) and extracted with ethyl acetate (3*50 mL). The organic extracts were combined, dried over anhydrous MgSO4, filtered, concentrated in vacuo and purified by column chromatography eluting with ethyl acetate/n-hexane (a gradient of 10-20%) to furnish ethyl alpha-hydroxycyclopropaneacetate (422 mg, 71%) as a viscous oil. The oil (350 mg, 2.43 mmol) was dissolved in anhydrous DCM and cooled to 0 C. Then Ph3P (2.04 gm, 7.78 mmol) was added followed by CBr4 (1.20 gm, 3.64 mmol). The reaction mixture was stirred at 0 C. for 2 h and then concentrated in vacuo. The Ph3PO was precipitated by addition of n-hexane and removed by filtration. The crude reaction mixture was purified by flash column chromatography to furnish ethyl alpha-bromocyclopropaneacetate (46, R=c-Pr): (311 mg, 62% yield). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate; In N,N-dimethyl-formamide; at 120℃; for 16.0h; | To a stirred mixture of 2.50 g (13 mmol) <strong>[189680-06-6]2-bromo-5-hydroxy-benzonitrile</strong> in 100 mL DMF are added 5.23 g (38 mmol) K2CO3 and 3.05 g (25 mmol) cyclopropylbromide. The reaction mixture is stirred for 16 h at 120 C. Afterwards the reaction is quenched by the addition of ice water and extracted with EtOAc. The org. layers are combined, washed with sat. aq. NaCl solution, dried over Na2SO4, filtered and the solvent is removed in vacuo. The crude product is purified by column chromatography (silica gel, PE/EtOAc). [0425] C10H8BrNO (M=238.1 g/mol) [0426] Rf (TLC): 0.8 (silica gel, PE/EtOAc 9/1)) | |
With potassium carbonate; In N,N-dimethyl-formamide; at 120℃; for 16.0h; | Example XVIII 2-Bronno-5-cvclopropoxy-benzonitrile To a stirred mixture of 2.50 g (13 mmol) <strong>[189680-06-6]2-bromo-5-hydroxy-benzonitrile</strong> in 100 mL DMF are added 5.23 g (38 mmol) K2CO3 and 3.05 g (25 mmol) cydopropylbromide. The reaction mixture is stirred for 16 h at 120 C. Afterwards the reaction is quenched by the addition of ice water and extracted with EtOAc. The org. layers are combined, washed with sat. aq. NaCI solution, dried over Na2SO4 , filtered and the solvent is removed in vacuo. The crude product is purified by column chromatography (silica gel, PE/EtOAc). CioH8BrNO (M= 238.1 g/mol) Rf (TLC): 0.8 (silica gel, PE/EtOAc 9/1 )) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
20% | A two-necked, round-bottom flask containing 230 mg (8.3 mmol) ofmagnesium was equipped with a rubber septum, reflux condenser,and a magnetic stirring bar. Anhydrous Et2O (4 mL) was introducedto cover the magnesium, and dibromoethane (0.025 mL) was addedby syringe. After stirred for 5 minutes, Et2O (6 mL) was added. As the contents of theflask were stirred, bromocyclopropane (1.0 g, 8.3 mmol) was added dropwise bysyringe. The mixture was stirred for an additional one hour at room temperature. Tothe resulting solution was added benzaldehyde (0.68 mL, 6.64 mmol) dropwise bysyringe. The reaction was quenched with H2O and HCl (ca 1 N). The aqueous layerwas extracted with diethyl ether, and the combined organic layers were dried overMgSO4, filtrated, and concentrated in vacuo. The crude product was applied to flashcolumn chromatography eluted with hexane/AcOEt = 10/1 to give the product (463mg, 20% yield). The NMR data are in agreement with those previously reported inliterature10. 1H NMR (CDCl3, 500 MHz): 0.35-0.40 (m, 1H), 0.45-0.50 (m, 1H),0.53-0.58 (m, 1H), 0.62-0.67 (m, 1H), 1.19-1.27 (m, 1H), 1.94 (br, 1H), 4.01 (d, J =8.0 Hz, 1H), 7.26-7.43 (m, 5H). 13C NMR (CDCl3, 125 MHz): 143.7, 128.4, 127.5,126.0, 78.6, 19.2, 3.6, 2.8. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | With potassium carbonate; In N,N-dimethyl-formamide; at 150℃; for 0.5h;Inert atmosphere; Microwave irradiation; | A mixture of 2-brorno-3-choropheno(200 mg, 0.96 mmo), bromocyciopropane (96 uL, 1.2 mmo), and potassium carbonate(138 mg, 0.96 mmofl in DMF (1.0 mL) was heated at 150 C in a microwave oven for 30minutes. The reaction mixture was cooed to rt, diuted with water, and extracted with EtOAc (x2). The organc extracts were dried (Na2SO4), ifitered and concentrated in vacuoto obtain the desred product as an o (180 rng, 75%). ?H NMR (400 MHz, DMSO-d6): 57.46 7.31 (m, 2H), 7.27 - 7.18 (dd, J = 7,7, 1.7 Hz, I H), 4.04 3.91 (m, I H), 0.91 0.79(m, 2H), 0.78 - 0.63 (m, 2H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
42% | With potassium carbonate; potassium iodide; In 1-methyl-pyrrolidin-2-one; at 200℃; for 3h;Inert atmosphere; Sealed tube; | In a flame dried reaction tube equipped with a stir bar was added 4-(dimethylamino)-2-hydroxy-benzaldehyde (165 mg, 1.00 mmol), cyclopropyl bromide (157 mg, 1.30 mmol, 104 uL), potassium carbonate (207 mg, 1.50 mmol), potassium iodide (8.30 mg, 0.0500 mmol) and NMP (1.00 mL). The vial was flushed with Ar, sealed with a teflon septa crimp cap, and stirred at 200 C. for 3 h. The reaction was cooled to RT, and vacuum filtered to remove undissolved solids, rinsing with DCM. The organics were concentrated in vacuo, and the residue was purified by flash chromatography on a 12 g SiO2 cartridge (gradient from 0 to 20% EtOAc in hexanes) to afford 2-(cyclopropoxy)-4-(dimethylamino)benzaldehyde (87.0 mg, 0.420 mmol, 42% yield). 1H NMR: (400 MHz, Chloroform-d) delta 10.09 (s, 1H), 7.72 (d, J=8.8 Hz, 1H), 6.46 (d, J=2.3 Hz, 1H), 6.32 (dd, J=8.8, 2.3 Hz, 1H), 3.81 (tt, J=6.0, 3.3 Hz, 1H), 3.09 (s, 6H), 0.90-0.79 (overlap, 4H). ESI-MS: [M+H]+ calculated for C12H15NO2 206.110; found 207.187. UV: lambda (max) 353.2 nm. |
Tags: 4333-56-6 synthesis path| 4333-56-6 SDS| 4333-56-6 COA| 4333-56-6 purity| 4333-56-6 application| 4333-56-6 NMR| 4333-56-6 COA| 4333-56-6 structure
A114990 [29086-41-7]
1,1-Bis(bromomethyl)cyclopropane
Similarity: 0.50
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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 |
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