Structure of 116419-94-4
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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. : | 116419-94-4 |
| Formula : | C10H9F3O2 |
| M.W : | 218.17 |
| SMILES Code : | O=C(OC)C1=CC=C(C)C(C(F)(F)F)=C1 |
| MDL No. : | MFCD14698074 |
| InChI Key : | LXUTXZRWQVCTTR-UHFFFAOYSA-N |
| Pubchem ID : | 11952921 |
| GHS Pictogram: |
|
| Signal Word: | Warning |
| Hazard Statements: | H302 |
| Precautionary Statements: | P280-P305+P351+P338 |
| Num. heavy atoms | 15 |
| Num. arom. heavy atoms | 6 |
| Fraction Csp3 | 0.3 |
| Num. rotatable bonds | 3 |
| Num. H-bond acceptors | 5.0 |
| Num. H-bond donors | 0.0 |
| Molar Refractivity | 47.69 |
| TPSA ? Topological Polar Surface Area: Calculated from |
26.3 Ų |
| Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
2.43 |
| Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
3.02 |
| Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
3.95 |
| Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
3.25 |
| Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
3.23 |
| Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
3.18 |
| Log S (ESOL):? ESOL: Topological method implemented from |
-3.19 |
| Solubility | 0.14 mg/ml ; 0.000641 mol/l |
| Class? Solubility class: Log S scale |
Soluble |
| Log S (Ali)? Ali: Topological method implemented from |
-3.24 |
| Solubility | 0.126 mg/ml ; 0.000579 mol/l |
| Class? Solubility class: Log S scale |
Soluble |
| Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-3.75 |
| Solubility | 0.0384 mg/ml ; 0.000176 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 |
-5.49 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 |
0.0 |
| 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) |
1.78 |
* 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 |
|---|---|---|
| 100% | Stage #1: With potassium hydroxide In dimethyl sulfoxide at 25℃; for 0.75 h; Stage #2: at 25℃; for 2 h; |
A solution of KOH (84 tug, 1.5 mmol) in DMSO (5 ml) was stilled fot- 30 min at 25 0C. The above slurry was then treated with 4-methyl-3-trifluoromethyl-benzoic acid (306 mg, 1.5 mmol) in H)MSO (5 ml) and the resulting mixture was stirred for 15 min, and iodottiethane (426 mg, 3 mmol) was then added to the mixture. The reaction was stirred for 2 h at 25 °C and then quenched with water. The resulting solution was extracted with βtOAc. The organic layer was washed with NaCl(sat) and dried with lsfa2Sψ4(S). The organics were removed under reduced pressure to give the title compound as an oil 327 mg (100percent). NMR: 8.10 (m, 214), 7.60 (s, IH), 3.86 (s, 3H), 2.45 (s, 3H); tn/z 218. |
| 100% | Stage #1: With potassium hydroxide In dimethyl sulfoxide at 25℃; for 0.75 h; Stage #2: at 25℃; for 2 h; |
Method 22; 4-Methyl-3-trifluoromethyl-benzoic acid methyl ester; A solution of KOH (84 mg, 1.5 mmol) in DMSO (5 ml) was stirred for 30 min at25 °C. The above slurry was treated with 4-methyl-3-trifluoromethyl-benzoic acid (306 mg, 1.5 mmol) in DMSO (5 ml) and the resulting mixture was stirred for 15 min, and iodomethane (426 mg, 3 mmol) was added to the mixture. The reaction was stirred for 2 h at 25 °C and then quenched with water. The resulting solution was extracted with EtOAc. The organic layer was washed with NaCl(sat) and dried with Na2SO4(S). The organics were removed under reduced pressure to give the title compound as an oil 327 mg (100percent). NMR: 8.10 (m, 2H), 7.60 (s, IH), 3.86 (s, 3H), 2.45 (s, 3H); m/z 218 |
| 100% | Stage #1: With potassium hydroxide In dimethyl sulfoxide for 0.25 h; Stage #2: at 0 - 25℃; for 2 h; |
Method 57; 4-Methyl-3-trifluoromethyl-benzoic acid methyl ester; A slurry of potassium hydroxide (84 mg, 1.5 mmol) in DMSO was treated with a solution of 4-methyl-3-trifluoromethyl-benzoic acid (306 mg, 1.5 mmol) in DMSO (5 ml). The resulting mixture was stirred for 15 min and cooled with an ice bath. After the addition of methyl iodide (426 mg, 3 mmol), the mixture was stirred for 2 h at 25 °C. The reaction mixture was quenched with water and extracted with EtOAc. The organics were washed with NaCl(sat), dried with Na2SO4(s) and concentrated under reduced pressure to give 327 mg (100percent). NMR: 8.10 (m, 2H), 7.60 (s, IH), 3.86 (s, 3H), 2.45 (s, 3H); m/z 218 |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 95% | With potassium carbonate In acetone at 20℃; for 24 h; | To a mixture of 4-methyl-3-(trifluoromethyl) benzoic acid (1 equiv), K2C03 (1.5 equiv) in acetone (15 times) was added Mel (1.5 equiv) at room temperature. Stirring was continued for 24h. Reaction was monitored by thin layer chromatography. The salts were filtered and resulting filtrate was concentrated, diluted with water, extracted with ethyl acetate. Concentration of organic layer afforded the pale yellow oil (95percent yield). ESI MS m/z -219 (M+H l)+. |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 96% | Reflux | 20 mmol of 3-trifluoromethyl-4-methyl-benzoic acid was dissolved in a round-bottomed flask containing 60 mL of methanol.A catalytic amount (3percent mmol) of concentrated sulfuric acid was added and the reaction was stirred at reflux overnight.The solvent was removed on a rotary evaporator, and 30 ml of a saturated sodium bicarbonate solution was added, followed by extraction with ethyl acetate (2×50 ml) and drying over anhydrous sodium sulfate.The solvent was removed on a rotary evaporator to give 3-trifluoromethyl-4-methyl-benzoic acid methyl ester compound a (yield: 96percent). |
| 95% | for 6 h; Reflux | Example 88: preparation of methyl 5-(5-(4~((3-(dimethylamino)pyrrolidin~1-yl)methyl)-3- (trifluoro-methyl)benzamido)-2-methylbenzamido)-1H~pyrrolof2,3-b]pyridine-2- carboxylate (ND0119); Step 1: preparation of methyl 3-(trifluoromethyl)-4-methylbenzoate; A reactor is charged with 1q (4.9mmol) of 3-(trifluoromethylH-methylbenzoic acid in 10ml methanol in the presence of a catalytic amount of sulphuric acid. The mixture is heated for 6 hours at reflux. The solvent is then evaporated under reduced pressure and 100ml of a saturated sodium bicarbonate solution is added to the mixture. The solution is extracted by 3*30ml ethyl acetate. The organic phases are combined, dried on sodium sulphate and evaporated under reduced pressure to give the expected product (1α. 95percent). |
| 95% | Reflux | General procedure: General procedure for esterification: 4-methyl-3 -substituted benzoic acid (24 mmol) in methanol (50 mL) with H2SO4 (0.260 mL, 4.8 mmol) are stirred and heated to reflux for one night. Methanol is evaporated and product is extracted at pH = 7 with EtOAc. |
| 88.4% | Stage #1: at 0 - 20℃; for 1 h; Stage #2: at 80℃; for 5 h; |
To a stirred methanol (300 mL) was added dropwisely sulfurous dichloride (30 mL) at 0 °C. The reaction mixture was stirred at room temperature for 1 hour. To this stirred solution was added 4-methyl-3-(trifluoromethyl)benzoic acid (30 g, 0.15 mol) in one portion at room temperature. The mixture was stirred at 80 °C for 5 hrs. The solvent was removed under reduced pressure. The residue was diluted with ethyl acetate (300 mL) and washed with saturated sodium bicarbonate and brine. The organic phase was dried over sodium sulfate anhydrous and concentrated. The residue (28.3 g, yield: 88.4percent) was used into next step directly. 1H NMR (400 MHz, CDC13) δ 8.24 (s, 1H), 8.03 (d, J= 8.0 Hz, 1H), 7.32 (d, J= 8.0 Hz, 1H), 3.90 (s, 3H), 2.50 (s, 3H)ppm. |
| 84.8% | for 24 h; Reflux | 4-methyl-3-(trifluoromethyl) benzoic acid (2.04 g, 10 mmol, 1.0 eq) in 25 mL of MeOH was added 2 mL of concentrated sulfuric acid. And the reaction monitored by TLC was completed after 24 hours under reflux with stirring. MeOH was distilled off and DCM was added to dissolved the residue. The solution was washed successively with saturated aqueous sodium bicarbonate solution, saturated aqueous sodium chloride solution and water. The obtained organic layer was dried over anhydrous magnesium sulfate, filtered and evaporated to dryness to give the product (1.85 g, 84.8percent yield) for the next step. |


| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 96% | With sulfuric acid;Reflux; | 20 mmol of 3-trifluoromethyl-4-methyl-benzoic acid was dissolved in a round-bottomed flask containing 60 mL of methanol.A catalytic amount (3percent mmol) of concentrated sulfuric acid was added and the reaction was stirred at reflux overnight.The solvent was removed on a rotary evaporator, and 30 ml of a saturated sodium bicarbonate solution was added, followed by extraction with ethyl acetate (2×50 ml) and drying over anhydrous sodium sulfate.The solvent was removed on a rotary evaporator to give 3-trifluoromethyl-4-methyl-benzoic acid methyl ester compound a (yield: 96percent). |
| 95% | sulfuric acid; for 6h;Reflux; | Example 88: preparation of methyl 5-(5-(4~((3-(dimethylamino)pyrrolidin~1-yl)methyl)-3- (trifluoro-methyl)benzamido)-2-methylbenzamido)-1H~pyrrolof2,3-b]pyridine-2- carboxylate (ND0119); Step 1: preparation of methyl 3-(trifluoromethyl)-4-methylbenzoate; A reactor is charged with 1q (4.9mmol) of 3-(trifluoromethylH-methylbenzoic acid in 10ml methanol in the presence of a catalytic amount of sulphuric acid. The mixture is heated for 6 hours at reflux. The solvent is then evaporated under reduced pressure and 100ml of a saturated sodium bicarbonate solution is added to the mixture. The solution is extracted by 3*30ml ethyl acetate. The organic phases are combined, dried on sodium sulphate and evaporated under reduced pressure to give the expected product (1alpha. 95percent). |
| 95% | With sulfuric acid;Reflux; | General procedure: General procedure for esterification: 4-methyl-3 -substituted benzoic acid (24 mmol) in methanol (50 mL) with H2SO4 (0.260 mL, 4.8 mmol) are stirred and heated to reflux for one night. Methanol is evaporated and product is extracted at pH = 7 with EtOAc. |
| 88.4% | To a stirred methanol (300 mL) was added dropwisely sulfurous dichloride (30 mL) at 0 °C. The reaction mixture was stirred at room temperature for 1 hour. To this stirred solution was added <strong>[261952-01-6]4-methyl-3-(trifluoromethyl)benzoic acid</strong> (30 g, 0.15 mol) in one portion at room temperature. The mixture was stirred at 80 °C for 5 hrs. The solvent was removed under reduced pressure. The residue was diluted with ethyl acetate (300 mL) and washed with saturated sodium bicarbonate and brine. The organic phase was dried over sodium sulfate anhydrous and concentrated. The residue (28.3 g, yield: 88.4percent) was used into next step directly. 1H NMR (400 MHz, CDC13) delta 8.24 (s, 1H), 8.03 (d, J= 8.0 Hz, 1H), 7.32 (d, J= 8.0 Hz, 1H), 3.90 (s, 3H), 2.50 (s, 3H)ppm. | |
| 84.8% | With sulfuric acid; for 24h;Reflux; | 4-methyl-3-(trifluoromethyl) benzoic acid (2.04 g, 10 mmol, 1.0 eq) in 25 mL of MeOH was added 2 mL of concentrated sulfuric acid. And the reaction monitored by TLC was completed after 24 hours under reflux with stirring. MeOH was distilled off and DCM was added to dissolved the residue. The solution was washed successively with saturated aqueous sodium bicarbonate solution, saturated aqueous sodium chloride solution and water. The obtained organic layer was dried over anhydrous magnesium sulfate, filtered and evaporated to dryness to give the product (1.85 g, 84.8percent yield) for the next step. |
| sulfuric acid; for 12h;Reflux; | STEP-1: To a stirred solution of compound-1 (1.0 eq) in 20 Volumes of methanol and added few drops of sulfuric acid (1.1 eq) was added. Reaction mixture refluxed for 12 h. The reaction mixture quenched with barium carbonate and filtered to remove barium sulfate and filtrate concentrated under reduced pressure. Crude residue 1a was purified by silica gel chromatography. Results: TABLE 1 1H NMR (CDCl3, 400 MHz) splitting pattern delta and J value Protons Group 8.04 d 1H ArH 7.85 m 1H ArH 7.10 d 1H ArH 2.3 s 3HCH3 3.88 s 3H OMe | |
| With thionyl chloride; at 0 - 20℃;Cooling with ice; | In a 50 ml round bottom flask was added 25 ml of methanol,Thionyl chloride (874 mg, 7.35 mmol) was added dropwise under ice-cooling,4-Methyl-3-trifluoromethylbenzoic acid 6 (500 mg, 2.45 mmol) was added dropwise,The system was moved to room temperature,The reaction was monitored by TLC.At the end of the reaction,Concentrated under reduced pressure,The product is oily liquid,which isCompound 7. |

| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 95% | With potassium carbonate; In acetone; at 20℃; for 24h; | To a mixture of 4-methyl-3-(trifluoromethyl) benzoic acid (1 equiv), K2C03 (1.5 equiv) in acetone (15 times) was added Mel (1.5 equiv) at room temperature. Stirring was continued for 24h. Reaction was monitored by thin layer chromatography. The salts were filtered and resulting filtrate was concentrated, diluted with water, extracted with ethyl acetate. Concentration of organic layer afforded the pale yellow oil (95percent yield). ESI MS m/z -219 (M+H l)+. |
| To a solution of <strong>[261952-01-6]4-methyl-3-trifluoromethylbenzoic acid</strong> (1.71 g, 8.37 mmol) in DMF (20 mE) was added potassium carbonate (1.39 g, 10.1 mmol) and the reaction mixture was stirred at room temperature for five minutes. lodomethane (0.78 mE, 12.5 mmol) was added and the reaction mixture stirred at room temperature for 18 hours. The reaction mixture was diluted with ethyl acetate and washed with water and brine (x2). The organic phase was dried over anhydrous magnesium sulfate, filtered and the filtrate evaporated at reduced pressure to afford methyl 4-methyl-3-trifluo- romethylbenzoate. The material was dissolved in carbon tetrachloride (10 mE) and treated sequentially with N-bromosuccinimide (2.74 g, 15.4 mmol) and benzoyl peroxide (catalytic) and heated at 80° C. for 18 hours. The mixture allowed to cool and diluted with water. The mixture was poured through a hydrophobic fit and the solvent evaporated at reduced pressure to afford methyl 4-(dibromom- ethyl)-3-trifluoromethylbenzoate. The material was dissolved in acetone/water (25 mE/S mE) and silver nitrate (2.38 g, 14.0 mmol) added. The reaction mixture was stirred at room temperature for 72 hours. The suspension was filtered through a pad of celite and the filtrate diluted with ethyl acetate. The solution was washed with water and brine. The organic phase was dried over anhydrous magnesium sulfate, filtered and evaporated. The residue was dissolved acetone/ water (25 mE/S mE) and silver nitrate (2.38 g, 14.0 mmol) added. The reaction mixture was stirred at room temperature for 24 hours. The suspension was filtered through a pad of celite and the filtrate diluted with ethyl acetate. The solution was washed with water and brine. The organic phase was dried over anhydrous magnesium sulfate, filtered and evaporated. The residue was purified by flash column chromatography (eluent-100percent i-hexane to 8:1 i-hexane/ethyl acetate) to afford the title compound (0.537 g, 33percent). 1H NMR (400 MHz, CDC13); oe 10.46-10.45 (m,1H), 8.46 (s, 1H), 8.35 (d, J=8.2 Hz, 1H), 8.20 (d, J=8.2 Hz,1H), 4.00 (s, 3H). | ||
| With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 18h; | A solution of <strong>[261952-01-6]4-methyl-3-trifluoromethylbenzoic acid</strong> (1.71 g, 8.37 mmol) in DMF (20 mL) was added with potassium carbonate (1.39 g, 10.1 mmol) and the reaction mixture was stirred at room temperature for five minutes. Iodomethane (0.78 mL, 12.5 mmol) was added and the reaction mixture stirred at room temperature for 18 hours. The reaction mixture was diluted with ethyl acetate and washed with water and brine (×2). The organic phase was dried over anhydrous magnesium sulfate, filtered and the filtrate evaporated at reduced pressure to afford methyl 4-methyl-3-trifluoromethylbenzoate. The material was dissolved in carbon tetrachloride (10 mL) and treated sequentially with N-bromosuccinimide (2.74 g, 15.4 mmol) and benzoyl peroxide (catalytic) and heated at 80° C. for 18 hours. The mixture was allowed to cool and diluted with water. The mixture was poured through a hydrophobic frit and the solvent evaporated at reduced pressure to afford methyl 4-(dibromomethyl)-3-trifluoromethylbenzoate. The material was dissolved in acetone/ water (25 mL/5 mL) and silver nitrate (2.38 g, 14.0 mmol) added. (0223) The reaction mixture was stirred at room temperature for 72 hours. The suspension was filtered through a pad of celite and the filtrate diluted with ethyl acetate. The solution was washed with water and brine. The organic phase was dried over anhydrous magnesium sulfate, filtered and evaporated. The residue was dissolved acetone/water (25 mL/5 mL) and silver nitrate (2.38 g, 14.0 mmol) added. (0224) The reaction mixture was stirred at room temperature for 24 hours. The suspension was filtered through a pad of celite and the filtrate diluted with ethyl acetate. The solution was washed with water and brine. The organic phase was dried over anhydrous magnesium sulfate, filtered and evaporated. The residue was purified by flash column chromatography (eluent?100percent i-hexane to 8:1 i-hexane/ ethyl acetate) to afford the title compound (0.537 g, 33percent). (0225) 1H NMR (400 MHz, CDCl3); delta 10.46-10.45 (m, 1H), 8.46 (s, 1H), 8.35 (d, J=8.2 Hz, 1H), 8.20 (d, J=8.2 Hz, 1H), 4.00 (s, 3H). |
Tags: 116419-94-4 synthesis path| 116419-94-4 SDS| 116419-94-4 COA| 116419-94-4 purity| 116419-94-4 application| 116419-94-4 NMR| 116419-94-4 COA| 116419-94-4 structure

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| 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 |
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