Structure of 158001-28-6
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CAS No. : | 158001-28-6 |
Formula : | C8H12N4 |
M.W : | 164.21 |
SMILES Code : | N#CC1=C(N)N(C(C)(C)C)N=C1 |
MDL No. : | MFCD00128289 |
InChI Key : | WXEIWFYQLJCWSP-UHFFFAOYSA-N |
Pubchem ID : | 2797454 |
GHS Pictogram: | ![]() |
Signal Word: | Warning |
Hazard Statements: | H302 |
Precautionary Statements: | P280-P305+P351+P338 |
Num. heavy atoms | 12 |
Num. arom. heavy atoms | 5 |
Fraction Csp3 | 0.5 |
Num. rotatable bonds | 1 |
Num. H-bond acceptors | 2.0 |
Num. H-bond donors | 1.0 |
Molar Refractivity | 46.91 |
TPSA ? Topological Polar Surface Area: Calculated from | 67.63 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from | 1.55 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by | 1.05 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from | 1.1 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from | 0.26 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by | 0.21 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions | 0.83 |
Log S (ESOL):? ESOL: Topological method implemented from | -1.76 |
Solubility | 2.84 mg/ml ; 0.0173 mol/l |
Class? Solubility class: Log S scale | Very soluble |
Log S (Ali)? Ali: Topological method implemented from | -2.06 |
Solubility | 1.43 mg/ml ; 0.00869 mol/l |
Class? Solubility class: Log S scale | Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by | -1.34 |
Solubility | 7.54 mg/ml ; 0.0459 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 | 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 | -6.56 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 | 1.0 |
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) | 2.0 |
* 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 |
---|---|---|
96.3% | With triethylamine; In ethanol; at 78.0℃; for 3.0h; | At room temperature, t-butylhydrazine 11 (0.72 g, 8.19 mmol) and triethylamine (1.70 mL, 12.29 mmol) were added to a 50 mL round bottom flask containing 20 mL of absolute ethanol.Then, ethoxymethylenemalononitrile 10 (1.00 g, 8.19 mmol) was slowly added dropwise thereto.The reaction mixture was heated at 78 C for 3 hours.The reaction solution was then cooled to room temperature and spin-dried to obtain a viscous orange solid.Water (30 mL) was then added thereto and the reaction was extracted with CH2Cl2 (3 x 60 mL). The combined organic phases were dried over anhydrous sodium sulfate, and then the solvent was evaporated under reduced pressure and concentrated. A fast-curing orange-yellow gum was obtained. The residue was separated with 10% EtOAc in hexane (60 mL), and the mixture was sonicated. The resulting crystalline solid was filtered, washed with a large amount of 10% EtOAc in hexane, and dried to give 5-amino-4-cyano-1-t-butyl-1H-pyrazole 1.29 as a light orange crystal, with a yield of 96.3 %. |
83% | With triethylamine; In ethanol; at 100.0℃; for 0.5h;Microwave irradiation; | To a mixture of t-butylhydrazine (1.0 g, 8.2 mmol) and triethylamine (1.1 ml, 8.2 mmol) in anhydrous ethanol (20 ml) was added ethoxymethylene malononitrile (7, 1.0 g, 8.2 mmol) slowly in portions. The mixture was heated in a microwave at 100 C for 30 min. and then concentrated via evaporation of the solvent under a reduced pressure. The residue was washed with ether then dried under a reduced pressure. The product was isolated as a yellow solid in 83 % yield (1.1 g, 6.7 mmol). 1H NMR (200 MHz, CDCl3): delta 7.37 (s, 1 H), 4.54 (s, 2 H), 1.58 (s, 9 H); 13C NMR (50 MHz, CDCl3): delta 150.1, 138.3, 114.7, 77.8, 59.9, 28.9; HRMS (CI) calcd for C8H12N4 (M) 164.1062, found 164.1080. |
46 g (87%) | With sodium methylate; In ethanol; | (a) 1-tert-Butyl-5-amino-1H-pyrazole-4-carbonitrile To a mixture of tert-butylhydrazine (40 g, 0.32 mol), sodium methoxide (18 g, 0.32 mol) and ethanol 150 ml) was added ethoxymethylene malononitrile (42 g, 0.32 mol). The reaction mixture was heated to reflux for 2 hours and the solvent was removed in vacuo. The residue was extracted with chloroform, washed with water and the organic layer was concentrated in vacuo to afford 46 g (87%) of 1-tert-butyl-5-amino-1H-pyrazole-4-carbonitrile as a semi-solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
96% | With triethylamine; In ethanol; water; at 78.0℃; for 3.0h; | Dissolve tert-butylhydrazine hydrochloride (8 g, 64.20 mmol) and triethylamine (6.50 g, 64.20 mmol) in 500 mL of absolute ethanol. Then, 2-ethoxymethylenemalononitrile (7.83 g, 64.20 mmol) was slowly added dropwise to the reaction flask with stirring. It was heated to reflux at 78 C. After about 3 h, the reaction was monitored by TLC (developer: PE / EtOAc = 1: 1). After the reaction solution was cooled to room temperature, the solvent was concentrated under reduced pressure to remove the solvent, and 100 mL of water and CH 2 Cl 2 (300 mL × 3) were added for extraction. The organic phases were combined, dried by adding an appropriate amount of anhydrous sodium sulfate, and concentrated to obtain an orange-yellow viscous solid. The obtained crude product was dissolved in 60 mL of an ethyl acetate-n-hexane (1: 9) mixed solution, sonicated for about 5 min, and allowed to stand. Observed that a large number of crystal forms precipitated, and filtered (washed 3 times with the ethyl acetate-n-hexane mixed solution). Drying gave 10.11 g of 1-tert-butyl-5-amino-1H-pyrazole-4-carbonitrile as an orange solid product, yield: 96%. |
96% | With triethylamine; In ethanol; at 78.0℃; for 3.0h; | tert-butylhydrazine hydrochloride (8g, 64.20mmol) and triethylamine (6.50g, 64.20mmol) In 500 mL of absolute ethanol, 2-ethoxymethylenemalononitrile (7.83 g, 64.20 mmol) was slowly added dropwise to the reaction flask with stirring.It was heated to reflux at 78 C. After about 3 h, the reaction was monitored by TLC (developer: PE / EtOAc = 1: 1).After the reaction solution was cooled to room temperature, the solvent was concentrated under reduced pressure to remove the solvent, and 100 mL of water and CH2Cl2(300 mL × 3) were added for extraction. The organic phases were combined, dried by adding an appropriate amount of anhydrous sodium sulfate, and concentrated to obtain an orange-yellow viscous solid.The obtained crude product was dissolved in 60 mL of an ethyl acetate-n-hexane (1: 9) mixed solution, sonicated for about 5 min, and allowed to stand. Observed that a large number of crystal forms precipitated, and filtered (washed 3 times with the ethyl acetate-n-hexane mixed solution) Drying gave 10.11 g of 1-tert-butyl-5-amino-1H-pyrazole-4-carbonitrile as an orange solid product, yield: 96%. |
94% | To a suspension of fe/ -butylhydrazine hydrochloride (15.0 g, 120.4 mmol) in ethanol (600 ml_) was added triethylamine (16.8 ml_, 120.4 mmol). The mixture was stirred for 60 min until the hydrazine had dissolved. Ethoxymethylenemalononitrile (14.7 g, 120.4 mmol) was added in portions and the reaction mixture was heated to 80 C and stirred at this temperature overnight. The reaction mixture was concentrated to dryness and the obtained residue was taken up in EtOAc. The organic layer was washed with water, dried over Na2S04, filtered and concentrated under reduced pressure. The solid was then recrystallized in DCM to afford 5-amino-1 -fe/?-butyl-pyrazole-4-carbonitrile (18.6 g, 1 13.4 mmol, 94% yield) as a light yellow solid. LC-MS (ES+, method 1): 1 .36 min, m/z 165.1 [M+H]+ |
83% | With triethylamine; In ethanol; for 3.0h;Reflux; | In tert-butylhydrazine hydrochloride (8.67 g, 69.6 mmol)Was added triethylamine (9.7 mL, 69.6 mmol)After adding anhydrous ethanol (460 mL), the mixture was stirred and dissolved at room temperature,Ethoxymethylenemalononitrile (8.5 g, 69.6 mmol) was added in small portions.After heating the solution to reflux for 3 hours,After cooling, the solvent was evaporated to give an orange solid.And extracted with ethyl acetate (0.5 L) and water (0.25 L)After drying by adding magnesium sulfate,The organic layer was evaporated to give an orange-yellow solid.The resulting solid was continuously washed with a 10% ethyl acetate in cyclohexane solution to give a crystalline solid5-amino-1-tert-butyl hydrogen - pyrazol-4-cyano 9.54g(Yield: 83%). |
83% | With triethylamine; In ethanol; at 20.0℃; for 3.0h;Reflux; | Triethylamine (9.7mL, 69.6mmol) was added to tert-butylhydrazine hydrochloride (8.67g, 69.6mmol) After adding absolute ethanol (460mL) and stirring at room temperature to dissolve, Ethoxymethylenemalononitrile (8.5 g, 69.6 mmol) was added in small portions, the solution was heated to reflux for 3 hours, and then the solvent was evaporated in vacuo to obtain a crude orange product. It was extracted with a mixed solution of ethyl acetate (0.5 L) and water (0.25 L), dried over anhydrous magnesium sulfate, and the organic layer was evaporated to obtain an orange solid. Continue to wash the obtained solid with a cyclohexane solution containing 10% ethyl acetate to obtain crystalline solid 5-amino-1-tert-butyl 1hydro-pyrazole-4-cyano 9.54g (yield 83% ). |
64.4% | With triethylamine; In ethanol; for 3.0h;Heating / reflux; | A mixture of t-butylhydrazine hydrochloride (4.67 g, 53 mmol) and triethylamine (5.35 g, 53 mmol) in anhydrous ethanol (250 ml) was stirred and ethoxymethylene malononitrile (6.47 g, 53 mmol) was slowly added in portions. The mixture was heated at reflux for 3 hr. The solvent was removed in vacuo and the product was crystallized from ethyl acetate -hexane followed by ether to afford the title compound as light pale brown crystals (5.6 g, 64.4 %); LC/MS, API-ES, Neg, (M-H)", 163.0. |
With triethylamine; In ethanol; for 3.0h;Heating / reflux; | A mixture of t-butylhydrazine hydrochloride (4.67 g, 53 mmol) and triethylamine (5.35 g, 53 mmol) in anhydrous ethanol (250 ml) was stirred and ethoxymethylene malononitrile (6.47 g, 53 mmol) was slowly added in portions. The mixture was heated at reflux for 3 hr. The solvent was removed in vacuo and the product was crystallized from ethyl acetate - hexane followed by ether to afford 5-amino-l-tert-butyl-lH-pyrazole-4-carbonitrile as light pale brown crystals (5.6 g, 34.1 mmol); LC/MS, API-ES, Neg, (M-H)", 163.0. | |
With triethylamine; In ethanol; at 82.0℃; for 3.0h;Inert atmosphere; | [0814] Example 1: 5-amino-1-(tert-butyl)-1H-pyrazole-4-carbonitrile (I1): . In a 250mL flame-dried argon purged round bottom flask, triethylamine (1.78g, 17.7mmol), and t- butyl hydrazine hydrochloride (1.56g, 12.5mmol) are dissolved in anhydrous ethanol (85mL). Ethoxymethylenemalononitrile (1.98g, 17.7mmol) is added slowly and reaction mixture is brought to reflux at 82C for 3 hours. The solvent is removed in vacuo and 10% ethyl acetate / hexane is added (5mL) and the mixture is sonicated (or simply utilize recrystallization from 10% ethyl acetate / hexane). The resulting crystalline solid is filtered, and washed with ether to yield I1. LC-MS (ES+) calcd for C8H12N4 (M+H)+ 165.11, found 165.05. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
91% | at 180.0℃; for 5.0h; | In a 100mL round-bottomed flask, add 1-tert-butyl-5-amino-1H-pyrazole-4-carbonitrile (5g, 30.47mmol), 80mL formamide solution, and heat the mixture in an oil bath to 180 C. After about 5 h, the reaction was monitored by TLC (developer: PE / EtOAc = 1: 1). After the reaction solution was cooled, 50 mL of water and CH 2 Cl 2 (200 mL × 3) were added for extraction. The organic phases were combined, dried over anhydrous sodium sulfate, filtered, concentrated, and purified by silica gel column chromatography (eluent: PE / EtOAc = 4/1). -1/1) gave the product 1-tert-butyl-4-amino-1H-pyrazolo [3,4-d] pyrimidine as a white solid, 5.82 g, yield: 91%. |
91% | at 180.0℃; for 5.0h; | In a 100 mL round bottom flask, add 1-tert-butyl-5-amino-1H-pyridine The azole-4-nitrile (5 g, 30.47 mmol), 80 mL of a formamide solution, the mixture was placed in an oil bath and heated to 180 C., and after about 5 h, the reaction was monitored by TLC (developing solvent: PE / EtOAc = 1: 1).After the reaction solution was cooled, 50 mL of water and CH2Cl2(200 mL × 3) were added for extraction. The organic phases were combined, dried over anhydrous sodium sulfate, filtered, concentrated, and purified by silica gel column chromatography (eluent: PE / EtOAc = 4 / 1-1 / 1) 5.82 g of 1-tert-butyl-4-amino-1H-pyrazolo [3,4-d] pyrimidine was obtained as a white solid, yield: 91%. |
77% | at 180.0℃; for 0.5h;Microwave irradiation; Inert atmosphere; | A mixture of <strong>[158001-28-6]5-amino-1-(tert-butyl)-1H-pyrazole-4-carbonitrile</strong> (8, 1.1 g, 6.7 mmol) in formamide (15 ml) under a nitrogen atmosphere was heated in a microwave at 180 C for 30 min. The mixture was extracted with EtOAc (3 x 30 ml) and the organic layer was washed successively with sodium carbonate (30 ml), water (30 ml) and brine (30 ml). The organic layer was dried with magnesium sulfate, filtered and concentrated via evaporation of the solvent under a reduced pressure. The product was isolated as a brown solid in 77 % yield (0.97 g, 5.1 mmol). 1H NMR (200 MHz, CDCl3) delta 8.31 (s, 1 H), 7.85 (s, 1 H), 6.17 (s, 2 H), 1.77 (s, 9 H); 13C NMR (50 MHz, CDCl3) delta 157.9, 154.4, 153.2, 128.9, 102.1, 60.4, 29.2; HRMS (CI) calcd for C9H13N5 (M) 191.1171, found 191.1180. |
77% | for 6.0h;Reflux; | A solution of 5-amino-1-tert-butyl 1-hydro-pyrazole-4-cyano (8,1.1 g, 1.1 mmol)Was added formamide (15 mL),The mixture was heated under reflux for 6 hours.The mixture was extracted with ethyl acetate (3 x 30 mL)The resulting organic layer was dried over magnesium sulfate, filtered and the solvent was evaporated under reduced pressure to give a brown solid(0.97 g, 0.97 mmol) (yield 77%). |
76% | for 6.0h;Reflux; | To 5-amino-1-tert-butyl-1H-pyrazole-4-cyano (1.1g, 6.75mmol) was added formamide (15mL), heated to reflux for 6 hours to obtain a reaction solution, the reaction solution was treated with ethyl acetate The ester (3×30mL) was extracted, and the resulting organic layer was dried over anhydrous magnesium sulfate. After filtration, the solvent was evaporated under reduced pressure to obtain a brown solid (0.97g, 5.1mmol) (yield 76%). |
60.9% | at 185.0℃; for 3.0h; | A mixture of S-amino-l-terZ-butyl-lH-pyrazole^-carbonitrile (5.5 g, 33.5 mmol) (Step A) and formamide (68 ml) was heated at 185 C for 3 hr under nitrogen atmosphere. The mixture was added to water and extracted with ethyl acetate. The organic layer was washed with saturated sodium bicarbonate solution followed by aqueous wash and brine. The organic layer was dried (anhydrous sodium sulfate) and the <n="75"/>solvent was removed in vacuo to afford a residue which was crystallized from small amount of ether to afford the title compound (3.91 g, 60.9 %); LC/MS, API-ES, Pos, (M+H)+, 192.1. |
59% | at 185.0℃; | A solution of 5-amino-1 -fe/?-butyl-pyrazole-4-carbonitrile (18.0 g, 0.1 1 mol) in formamide (131 ml_, 3.29 mol) was stirred at 185 C overnight. Subsequently, the reaction mixture was cooled to room temperature, water was added and the aqueous phase was extracted with EtOAc. The combined organics were washed with sat. NaHC03 solution, dried over Na2S04, filtered and concentrated in vacuo. The obtained crude product was recrystallized in DCM to afford 1 -fe/?-butylpyrazolo[3,4- c ]pyrimidin-4-amine (12.3 g, 64.3 mmol, 59% yield) as a white solid. UPLC-MS (ES+, Short acidic): 1 .04 min, m/z 192.0 [M+H]+ |
55.8% | at 190.0℃; for 6.0h;Inert atmosphere; | Under nitrogen, <strong>[158001-28-6]5-amino-4-cyano-1-tert-butyl-1H-pyrazole</strong> 12 (1.00 g, 6.09 mm ol)The mixture with formamide (15 ml) was heated at 190 C for 6 hours. The mixture was extracted with CH2Cl2 (3 x 60 ml) and H2O (30 ml). The combined organic layers were then dried over anhydrous sodium sulfate and evaporated in vacuo. The reaction mixture was purified by silica gel column chromatography (elution: 0% to 50% CH2Cl2 / CH3OH) to obtain product 13 as a 1.16 g of a white solid with a yield of 55.8%. |
at 185.0℃; for 3.0h; | A mixture of 5-amino-l-ter?-butyl-lH-pyrazole-4-carbonitrile (5.5 g, 33.5 mmol) (Step A) and formamide (68 ml) was heated at 185 0C for 3 hr under nitrogen atmosphere. The mixture was added to water and extracted with ethyl acetate. The organic layer was washed with saturated sodium bicarbonate solution followed by aqueous wash and brine. The organic layer <n="172"/>was dried (anhydrous sodium sulfate) and the solvent was removed in vacuo to afford a residue which was crystallized from small amount of ether to afford l-fert-butyl-lH-pyrazolo[3,4- phiyrimidin-4-ylamine (Compound No. 12; 3.91 g, 20.4 mmol); LC/MS, API-ES5 Pos, (M+H)+, 192.1. | |
at 180.0℃; for 4.0h; | Preparation #26. 3-Bromo-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine A suspension of <strong>[158001-28-6]5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile</strong> (8.67 g, 0.0528 mol) in formamide (100 mL) was heated at 180 C. for about 4 hours. The reaction mixture was cooled, poured into ice water (200 mL), and the product was extracted with ethyl acetate (4*80 mL). The combined organic layers were dried over magnesium sulfate, and the solvent was removed under reduced pressure. The residue was taken up in ether (35 mL) and the precipitate was filtered, washed with ether (50 mL), and dried under reduced pressure to afford 1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine (3.22 g, 0.0169 mol) as a white solid; RP-HPLC (30% to 95% acetonitrile/0.01M aqueous ammonium acetate, buffered to pH 4.5, over 4.5 min at 0.8 mL/min; lambda=190-700 nm; Genesis C18, 120 A, 3 mum, 30*4.6 mm column) Rt 1.38 min. | |
at 180.0℃; for 3.0h; | [0815] Example 2: 1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (I2): . Formamide (35mL) is added to intermediate I1 (~2.75g) and the mixture is headed to 180C for 3 hours. Upon cooling, the mixture is added to water and extracted with ethyl acetate using sodium bicarbonate to wash the organic followed by a careful water wash as to avoid emulsion and lastly a wash with saturated brine. The organic layer is dried in vacuo and is recrystallized from a small amount of ether to yield intermediate I2. LC-MS (ES+) calcd for C9H13N5 (M+H)+ 192.12, found 192.21. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
13.2 g (75%) | With potassium hydroxide; In water; | (a) To a mixture of water (500 ml) and 85% KOH (37.91 g) at 0 C. was added 30% H2 O2 (49.4 ml, 483 mmol), followed by 1-tert-butyl-5-amino-1H-pyrazole-4-carbonitrile (15.83 g, 96.5 mmol). The reaction mixture was stirred for four hours at 0 C. and then at room temperature for 1 hour. A yellow precipitate had formed which was collected by filtration and air dried to afford 13.2 g (75%) of 1-tert-butyl-5-amino-1H-pyrazole-4-carboxamide, m.p. 193-195 C. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
83.2% | General procedure: 30 ml of dry ethanol were added to cyclopentylhydrazine hydrochloride (Intermediate P1) (4.660 g, 26.92 mmcl), then (ethoxymethyLene)malononitrile(3.355 g, 26.92 mmol) and triethylamine (11.409 ml, 81.04 mmol) were added. The mixture was heated at ref lux for 3 hours. The crude product was isolated by extraction with ethyl acetate, aqueous layer was washed with water and brine, dried with sodium sulphate and concentrated. Obtained product was purified by chromatography on siLicagel (heptan/ethyl acetate, gradient from 4:1 to 1:1).2.231 g of the title product were obtained as a beige solid (yield 47%). 1H NMR (300 MHz, DMSO-d6): delta 7.52 (s, 1H), 6.52 (s, broad, 2H), 4.55 (q, 1H),1.82 (m, 6H), 1.57 (m, 2H). 13C NMR (75 MHz, DMSO-d6): delta 151.59; 140.51;116.08; 72.86; 57.18; 32.02; 24.78. |
Tags: 158001-28-6 synthesis path| 158001-28-6 SDS| 158001-28-6 COA| 158001-28-6 purity| 158001-28-6 application| 158001-28-6 NMR| 158001-28-6 COA| 158001-28-6 structure
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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.
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