Structure of 99368-66-8
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CAS No. : | 99368-66-8 |
Formula : | C6H3F3N2O3 |
M.W : | 208.09 |
SMILES Code : | FC(C1=CC([N+]([O-])=O)=CN=C1O)(F)F |
MDL No. : | MFCD00276983 |
InChI Key : | BHUILUYFGJBXHQ-UHFFFAOYSA-N |
Pubchem ID : | 2775095 |
GHS Pictogram: | ![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Num. heavy atoms | 14 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.17 |
Num. rotatable bonds | 2 |
Num. H-bond acceptors | 7.0 |
Num. H-bond donors | 1.0 |
Molar Refractivity | 40.08 |
TPSA ? Topological Polar Surface Area: Calculated from | 78.94 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from | 0.95 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by | 1.54 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from | 2.87 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from | 0.23 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by | -0.15 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions | 1.09 |
Log S (ESOL):? ESOL: Topological method implemented from | -2.29 |
Solubility | 1.08 mg/ml ; 0.00518 mol/l |
Class? Solubility class: Log S scale | Soluble |
Log S (Ali)? Ali: Topological method implemented from | -2.81 |
Solubility | 0.325 mg/ml ; 0.00156 mol/l |
Class? Solubility class: Log S scale | Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by | -1.72 |
Solubility | 3.93 mg/ml ; 0.0189 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) | 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 | -6.48 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 | 2.0 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) | 2.06 |
* 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% | With phosphorus pentachloride; trichlorophosphate; at 110 - 120℃; for 8.0h; | a mixture of 5-nitro-3- (trifluoromethyl) pyridine -2 (1H) -One, 3 (1.50g, 7.21mmol), POCl3 (2.76g, 18.02mmol) and PCl5(1.4g, 10. 09mmol) was heated 8 hours to about 110 ~ 120 and poured into ice water. Themixture was neutralized with solid NaHCO3, and extracted with ethylacetate (3 × 40ml). The organic phases were combined, dried over Na2SO4,all solvents were evaporated under reduced pressure to give 2-chloro-5-nitro-3-(trifluoromethyl) pyridine 4. |
96% | With phosphorus pentachloride; trichlorophosphate; at 110 - 120℃; for 8.0h; | Synthesis of 2-chloro-5-nitro-3-(trifluoromethyl)pyridine, 4 (0076) (0077) A mixture of 5-nitro-3-(trifluoromethyl)pyridin-2(1H)-one 3 (1.50 g, 7.21 mmol), POCl3 (2.76 g, 18.02 mmol) and PCl5 (1.4 g, 10.09 mmol) is heated to about 110-120° C. for 8 hours and then poured into ice water. The mixture is neutralized with solid NaHCO3 and extracted with ethyl acetate (3×40 ml). The combined organic phases is dried over Na2SO4 and all solvents removed under reduced pressure to obtain 2-chloro-5-nitro-3-(trifluoromethyl)pyridine 4. |
With thionyl chloride; | 5-Nitro-3-(trifluoromethyl)pyridin-2(1H)-one was treated with thionyl chloride and then the resulting 2-chloro-5-nitro-3-(trifluoromethyl)pyridine was treated with dimethylamine to obtain N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
92% | In tetrahydrofuran; | Example 257 Methyl-phenyl-carbamic Acid 5-nitro-3-trifluoromethyl-pyridin-2-yl Ester A solution of <strong>[99368-66-8]2-hydroxy-5-nitro-3-(trifluoromethyl)pyridine</strong> (0.36 g, 1.73 mmol), N-methyl-N-phenylcarbamoyl chloride (0.44 g, 2.59 mmol) and 1,4-diazabicyclo[2.2.2]octane (0.29 g, 2.59 mmol) in tetrahydrofuran (15 ml) was stirred at room temperature for 18 hours. The solvent was evaporated in vacuo and the residue was purified by flash column chromatography (SiO2, ethyl acetate:heptane (15:85)) yielding the title compound (0.55 g, 92% yield) as an orange solid. 1H NMR (300 MHz, CDCl3): delta 3.46 (br.s, 3H), 7.23-7.46 (m, 5H), 8.70 (br.s, 1H), 9.37 (br.s, 1H); HPLC-MS (Method A): m/z=364 (M+H); Rt=4.08 min. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | With sulfuric acid; nitric acid; at -10 - 40℃; for 6h; | The HNO3 (24 mL, 0.55 mol) was dropped solwly at -10 C to a solution of 2-hydroxyl-3- (trifluoromethyl)pyridine 5 (20.00 g,0.12 mol) in H2SO4 (160 mL). The reaction mixture was stirred at 40 C for 6 h and TLC analysis indicated the reactionwas completed.The reaction mixture was added into ice water. Then the solutionwas adjusted pH being 4-5 with saturated aqueous NaOH andextracted with EtOAc. The organic phase was washed with saturatedbrine, dried over Na2SO4, filtered and concentrated underreduced pressure to give the corresponding product. It was obtainedas a light yellow solid in 94% yield. 6 was ready for the nextstep without the further purification. HRMS (ESI): m/z, calcd forC6H4F3N2O3 [M H], 209.0169; found: 209.0171. |
78% | With sulfuric acid; nitric acid; at 60℃; for 21.5h;Cooling with ice; | To an ice-cooled solution of 3-(trifluoromethyl)pyridin-2-ol (5 g, 30.7 mmol) in H2SO4 (30 mL, 563 mmol) was added nitric acid (1.507 mL, 33.7 mmol) dropwise. After 30 min, the ice bath was removed and the reaction mixture was stirred at 25 C for 16 h. The reaction mixture was warmed to 60 C for 5 h, cooled, and added to 150 g of ice. The resulting precipitate was collected by filtration, rinsed with additional H20, and air-dried to afford the first batch of product. Another crop of product was obtained after evaporating the mother liquor to less than 100 mL, cooling on an ice bath, and adding NaOH to adjust to pH 8. The mixture was extracted by EA (100 mL). The organic layer was dried and concentrated to give the product, which was combined with the first batch to yield a yellow solid of 5-nitro-3-(trifluoromethyl)pyridin-2-ol (5 g, 24.03 mmol, 78.0% yield): NMR (400 MHz, CD3OD) delta 8.85 (d, J= 3.2 Hz, 1H), 8.58 (d, J= 2.8 Hz, 1H). |
74.5% | With sulfuric acid; nitric acid; at 20℃; for 4h;Cooling with ice; | In an ice bath, 2-hydroxy-3-trifluoromethylpyridine (25 g, 0.15 mol) was added into cold concentrated sulthric acid (150 ml), followed by drop wise addition of concentrated nitric acid (58 ml). The reaction mixture was warmed to room temperature and was stirred at room temperature for 4 h, and the reaction mixture was poured into 1 liter of icy water to afford white solids. The solids were filtered off and washed with water twice and dried to afford the first batch of compound 2 (16.97 g). The filtrate was adjusted to weak acidic by 1 OM sodium hydroxide, and the solution was extracted by200 ml ethyl acetate for three times. The combined organic phases were dried over anhydrous sodium sulfate, and thesolvent was removed. The residue was purified by columnchromatography (mobile phase, DCMJMeOH) to give the second batch of compound 2 (6.81 g). Total yield was 74.5%. |
74% | With sulfuric acid; nitric acid; at 20℃; | To a solution of compound 1 (25g, 0.15mol) in cocnH2SO4 (100ml) was added the mixture HNO3 and cocnH2SO4 (v/v=1/1)(100ml) drop-wise at room temperature. The reaction mixture was stirred for 4h. This reaction mixture was added into ice (1kg) portion-wise, stirred for 2h, filtrated, washed with water (50ml), then, dried to afford 5-nitro-3-(trifluoromethyl)pyridin-2-ol (2) (23.3g, 74%). 1H NMR (400 MHz, DMSO-d6) delta 13.49 (br, 1H), 8.97 (s, 1H), 8.47 (s, 1H). 13C NMR (101 MHz, DMSO-d6) delta 158.0, 142.4, 134.1 (q, J =5.1Hz), 128.7, 121.9 (q, J = 272.7 Hz), 116.8 (q, J = 30.3 Hz). |
73.3% | With sulfuric acid; nitric acid; at 0 - 60℃; for 21h; | To a mixture of 3- (trifluoromethyl) pyridin-2-ol (2 g 12.26 mmol) was added nitric acid (1.644 mL 36.8 mmol) and H2SO4(12.03 g 123 mmol) at 0 . Then the mixture was stirred at 25 for 16 h. The mixture was then warmed to 60 for 5 h cooled and added to 150 g of ice. The mixture was extracted with EA (2 x 100 mL) and washed with H2O (100 mL) to give the organic layer. The combined organic extract was washed with brine dried over Na2SO4 concentrated to yield a brown solid of 5-nitro-3- (trifluoromethyl) pyridin-2-ol (2.2 g 8.99 mmol 73.3yield) 1HNMR(400 MHz CD3OD) delta 8.91 (d J 2.43 Hz 1H) 9.42 (d J 2.43 Hz 1H) ES-LCMS m/z 209.0 (M+H) |
69% | Reference Example 117 5-nitro-3-(trifluoromethyl)pyridin-2-ol; 2-Hydroxy-3-(trifluoromethyl)pyridine (3.0 g) was added to conc. sulfuric acid (18 mL) under ice-cooling, and the mixture was stirred at the same temperature for 5 min. Fuming nitric acid (90-95%, 7 mL) was added dropwise over 5 min, and the mixture was allowed to return to room temperature over 2 hr, heated to 50 C. and stirred for 3 hr. After cooling to room temperature, the reaction mixture was poured into ice (200 g), and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The precipitate was washed with diisopropyl ether to give the title compound as a solid (yield 2.7 g, 69%). 1H-NMR (CDCl3) delta: 8.65-8.67 (1H, m), 8.80-8.81 (1H, m), 1H not detected. | |
51.5% | With sulfuric acid; nitric acid; at 26℃; for 10.5h;Cooling with ice; | To an ice-cooled solution of 3-(trifluoromethyl)pyridin-2-ol (4 g, 24.53 mmol) in H2SO4 (26.1 mL, 491 mmol) was added nitric acid (1.206 mL, 27.0 mmol) dropwise. After 30 min, the ice bath was removed and the reaction was stirred at 26 C. for 10 h. The reaction mixture was added to 120 g ice. The resulting precipitate was collected by filtration, rinsed with additional H2O and air-dried to afford the first batch of product. Another crop of product was obtained after evaporating the mother liquor to less than 100 mL, cooling on an ice bath, and adding NaOH to adjust to pH=8. The mixture was extracted by EA (100 mL). The organic layer was dried and concentrated to give the product, which was combined with the first batch to yield a yellow solid of 5-nitro-3-(trifluoromethyl)pyridin-2-ol (2.63 g, 12.64 mmol, 51.5% yield): 1H NMR (400 MHz, CD3OD) delta: 8.86 (d, J=3.1 Hz, 1H), 8.55 (d, J=2.6 Hz, 1H); ES-LCMS m/z 209.0 (M+H). |
With sulfuric acid; nitric acid; In water; at 0 - 20℃; for 3h; | 3. 5-Nitro-3-trifluoromethyl-pyridin-2-ol To 3-trifluoromethyl-pyridin-2-ol (1.63 g, 10 mmol) in concentrated sulfuric acid at O0C, add dropwise fuming nitric acid (2 mL). Stir the mixture at room temperature for 3 hours and pour onto ice. Collect the precipitate by filtration, air-dry and finally dry in a vacuum oven overnight to give the title compound as a white solid | |
EXAMPLE 26; 3-(4-tert-Butyl-phenyl)-N-(6-imidazol-1-yl-5-trifluoromethyl-pyridin-3-yl)-propionamide (Cpd 202) A. To an ice-cooled solution of compound 26a (5.93 g, 36.4 mmol) in 35 mL concentrated H2SO4 was added concentrated HNO3 (2.6 mL, 40.8 mmol) dropwise. After 30 minutes the ice bath was removed and the reaction was stirred at ambient temperature for 15 hours. The reaction mixture was then warmed to 60 C for 5 hours, cooled, and added to 150 g of ice. The resulting precipitate was collected by filtration, rinsed with additional water, and air-dried to afford the first batch of product. Another crop of product was obtained after evaporating the mother liquor to less than 100 mL volume, cooling on an ice bath, and adding NaOH (25.34 g). This solid was filtered off, rinsed with water, and air-dried to provide another batch of product of compound 26b. 1H NMR (d6-DMSO): delta 13.49 (br s, 1H), 8.96 (s, 1H), 8.47 (s, 1H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
86% | With thionyl chloride; In N,N-dimethyl-formamide; at 100℃; for 10.0h; | SOCl2 (18.45 mL, 253 mmol) was added to a solution of <strong>[99368-66-8]5-nitro-3-(trifluoromethyl)pyridin-2-ol</strong> (2.63 g, 12.64 mmol). DMF (1.957 mL, 25.3 mmol) was added and the mixture was at 100 C. for 10 h. Then the solution was concentrated and distributed between EA and saturated NaHCO3 solution. The combined organic extract was washed with brine, dried over MgSO4, filtered and concentrated. The resulting 2-chloro-5-nitro-3-(trifluoromethyl)pyridine (2.46 g, 10.86 mmol, 86% yield) was used in the next step without further purification. TLC (PE/EA=5:1, Rf=0.6): 1H NMR (400 MHz, CDCl3) delta: 9.23-9.59 (m, 1H), 8.79 (d, J=2.4 Hz, 1H). |
86% | With thionyl chloride; N,N-dimethyl-formamide; at 100℃; for 10.0h; | SOCl2 (18.45 mL, 253 mmol) was added to a solution of 5 -nitro-3 -(trifluoromethyl)pyridin-2-ol (2.63 g, 12.64 mmol). DMF (1.957 mL, 25.3 mmol) was added and the mixture was at 100 C for 10 h. Then the solution was concentrated and distributed between EA and saturated NaHCC>3 solution. The combined organic extract was washed with brine, dried over MgSO/i, filtered and concentrated. The resulting 2-chloro-5 -nitro-3 -(trifluoromethyl)pyridine (2.46 g, 10.86 mmol, 86% yield) was used in the next step without further purification. TLC (PE/EA = 5: 1, Rf = 0.6): 'HNMR (400 MHz, CDCI3) delta: 9.23-9.59 (m, 1H), 8.79 (d, J = 2.4 Hz, 1H). |
77% | With phosphorus pentachloride; trichlorophosphate; at 90℃; for 3.0h; | Reference Example 118 2-chloro-5-nitro-3-(trifluoromethyl)pyridine; A mixture of <strong>[99368-66-8]5-nitro-3-(trifluoromethyl)pyridin-2-ol</strong> (2.65 g), phosphorus pentachloride (3.17 g) and phosphorus oxychloride (1.5 mL) was stirred at 90 C. for 3 hr. After cooling to room temperature, the reaction mixture was poured into ice, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane-ethyl acetate=19:1?3:1) to give the title compound as a yellow oil (yield 2.21 g, 77%). 1H-NMR (CDCl3) delta: 8.79-8.81 (1H, m), 9.40-9.41 (1H, m). |
55.1% | With thionyl chloride; N,N-dimethyl-formamide; at 80℃; for 16.0h; | To a mixture of 5-nitro-3- (trifluoromethyl) pyridin-2-ol (2 g 9.61 mmol) was added SOCl2(21.04 mL 288 mmol) and DMF (0.074 mL 0.961 mmol) . Then the mixture was stirred at 80 for 16 h. The mixture was concentrated and extracted with EA (2 x 100 mL) and washed with H2O (100 mL) to give the organic layer. The combined organic extract was washed with brine dried over Na2SO4 concentrated to yield a brown solid of 2-chloro-5-nitro-3- (trifluoromethyl) pyridine (2 g 5.30 mmol 55.1yield) 1HNMR(400 MHz CD3OD) delta 8.91 (d J 2.43 Hz 1H) 9.42 (d J 2.43 Hz 1H) |
With trichlorophosphate; at 85℃; for 18.0h; | 4. 2-ChlotauO-5-nitro-3-trifluoromethyl-pyridine Heat a mixture of <strong>[99368-66-8]5-nitro-3-trifluoromethyl-pyridin-2-ol</strong> (416 mg, 2.0 mmol) and phosphorus oxychloride (1 mL) at 85C for 18 hours. Cool the mixture and remove the volatiles by rotary evaporation. Dissolve the residue in EtOAc (15 mL) and wash with water (10 mL), saturatedNaHCO3(aq) (10 mL) and brine (10 mL). Dry the organic extract over MgSO4 and remove the solvent under reduced pressure to yield the title compound. | |
With thionyl chloride; In N,N-dimethyl-formamide; for 4.0h;Heating / reflux; | B. To a mixture of compound 26b (3.84 g, 18.5 mmol) in 20 mL SOCl2 was added 0.5 mL DMF. The mixture was heated to reflux for 4 hours then concentrated in vacuo. The residue was dissolved in benzene and concentrated again in vacuo. This residue was taken up in 50 mL EtOAc and washed with 50 mL saturated NaHCO3, and 50 mL brine, then dried over Na2SO4, and filtered and concentrated in vacuo. The resulting residue was chromatographed over silica gel (0-10% EtOAc/heptane) to give compound 26c as a pale yellow oil. 1H NMR (d6-DMSO): delta 9.52 (s, 1H), 8.92 (s, 1H). | |
With phosphorus pentachloride; trichlorophosphate; at 90℃; for 3.0h; | (0874) A mixture of Compound 288A (1.69 g), phosphorus pentachloride (2.03 g), and phosphoryl trichloride (0.97 ml) was heated at 90° C. for 3 hours. After cooling, the reaction mixture was poured into ice, and extracted with ethyl acetate three times. The extract was washed with brine, dried over MgSO4, filtered, and concentrated under reduced pressure. The residue was purified by flash column chromatography on silica gel eluting with 10percent ethyl acetate in hexanes to provide the title compound. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98% | With N,N-dimethyl-formamide; phosphorus(V) oxybromide; at 110℃; for 4h; | To the mixture of compound 2 (2.5 g, 12 mmol) and P013r3 (10 g, 34.8 mmol) DMF (0.5 ml) was added in, andthe reaction was heated to 1100 C. for 4 h. The reaction mixture was poured into 100 g ice, and pH was adjusted to neutral, followed by extraction with ethyl acetate for three times. The combined organic phases were dried over anhydrous sodium sulfate, and the solvent was removed. The residue was purified by column chromatography (mobile phase, PE) to give compound 3 (3.2 g, 98% yield). ?H NMR (CDC13, 400 MHz):o 9.09 (1H, d, J=2.8 Hz), 8.60 (1H, d, J=2.8 Hz) ppm. |
98% | With phosphorus(V) oxybromide; In N,N-dimethyl-formamide; at 110℃; | Compound 9 (2.5g, 12mmoles) and POBr3 (10g, 34.8mmoles) were added in round-bottom flask with a magnetic stir bar, followed by DMF (0.1 ml). The round-bottom flask was heated to 110C and stirred for 4 h. This reaction mixture was added into ice (100g) portion-wise, then, adjusted pH to 7, and extracted with EA. The organic layer was dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The residue was purified by flash column chromatography on silics gel (PE) to afford 2-bromo-5-nitro-3-(trifluoromethyl)pyridine (3) (3.2g, 98%). |
86% | With bromine; phosphorus tribromide; phosphorus(V) oxybromide; at 110℃; for 4h; | To the solution of Br2 (37.0 g, 0.23 mol), PBr3 (96.3 g, 0.46 mol)and POBr3 (49.8 g, 0.17 mol), intermediate 6 was added. The reactionmixturewas stirred at 110 C for 4 h and TLC analysis indicatedthe reaction was completed. The reaction mixture was added intoice water. Then the solution was adjusted pH being 7 with Na2CO3and extracted with EtOAc. The organic phase was washed withsaturated brine, dried over Na2SO4, filtered and concentrated underreduced pressure to give a brown oil in 86% yield. 7 was ready forthe next step without the further purification. HRMS (ESI): m/z,calcd for C6H3BrF3N2O2 [M H], 270.9325; found: 270.9326. |
With triethylamine hydrobromide; phosphorus(V) oxybromide; In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide; at 100℃; for 3h; | A vessel was charged with 19 g of compound (I), 5 g of triethylamine (0134) hydrobromide, 49 g of xylenes and 67 g DMF. A solution of 26 g of phosphorous oxybromide in 16 g of xylene was dosed into the reaction mixture. The reaction mixture was heated to 100C for 3 h. The mixture was then cooled to 70C. To this mixture was added 75 g of a solution of NaOH (10M). After phase separation at room temperature, the organic layer was washed with a 84 g of an aqueous solution of NaOH (10M) followed by 84 g of an aqueous solution of NaCl (25 %). The organic phase was carried forward into the next step without further purification. Isolation by crystallization from heptane was performed for characterization purposes of compound (II). 1H NMR (300 MHz, CDCl3) G 9.36, 8.75. |
Tags: 99368-66-8 synthesis path| 99368-66-8 SDS| 99368-66-8 COA| 99368-66-8 purity| 99368-66-8 application| 99368-66-8 NMR| 99368-66-8 COA| 99368-66-8 structure
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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.
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