Structure of 23056-33-9
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CAS No. : | 23056-33-9 |
Formula : | C6H5ClN2O2 |
M.W : | 172.57 |
SMILES Code : | C1=C(C(=CC(=N1)Cl)C)[N+](=O)[O-] |
MDL No. : | MFCD00010688 |
InChI Key : | HWZUMEVIIGNXGM-UHFFFAOYSA-N |
Pubchem ID : | 345364 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Num. heavy atoms | 11 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.17 |
Num. rotatable bonds | 1 |
Num. H-bond acceptors | 3.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 43.03 |
TPSA ? Topological Polar Surface Area: Calculated from |
58.71 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
1.4 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
2.01 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
1.95 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
0.22 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
0.3 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
1.18 |
Log S (ESOL):? ESOL: Topological method implemented from |
-2.51 |
Solubility | 0.529 mg/ml ; 0.00306 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-2.87 |
Solubility | 0.233 mg/ml ; 0.00135 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-2.4 |
Solubility | 0.679 mg/ml ; 0.00394 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 |
-5.93 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 |
3.0 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) |
1.98 |
* 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 |
---|---|---|
78% | at 0 - 20℃; | 2-chloro-4-methyl-5-nitropyridine (31 g, 180 mmol) was dissolved in conc.H2SO4 (300mL) and the resulting mixture was cooled to 0 °C. CrO3 (59.4 g, 594 mmol) was added to the solution. After stirring for 1 h at 0 °C, the mixture was warmed up to room temperature and stirred overnight. It was poured into ice-water (1 L). The mixture was warmed up to room temperature and filtered. The solid was then washed with water ( 2 L) and dried in vacuo to afford the desired product as a white solid (28.5g, 78percent); LC/MS: MS(ES) m/e 203 (MH=); 1H NMR (300 MHz, DMSO-d6) δ ppm 8.04 (s, 1 H), 9.16 (s, 1 H). |
75% | at 0 - 20℃; for 13 h; | (Step 1) 2-Chloro-5-nitro-pyridine-4-carboxylic acid (0167) (0168) 2-Chloro-4-methyl-5-nitro-pyridine (20.5 g, 119 mmol) was dissolved in concentrated sulfuric acid (200 ml), the resulting solution was cooled to 0° C., then chromium(VI) oxide (40.0 g, 400 mmol) was added thereto, and the resulting mixture was stirred at 0° C. for 1 hour and then at room temperature for 12 hours. The reaction liquid was diluted with water (2,000 ml), and the precipitated solid was filtered and dried to obtain the title compound (18.0 g, 75percent). (0169) 1H NMR (400 MHz, CD3OD): δ 10.8 (br, s, 1H), 9.13 (s, 1H), 7.70 (s, 1H). |
73% | at 0 - 20℃; for 1 h; Inert atmosphere | [00610] Step 1: To a solution of 2-chloro-4-methyl-5-nitro-pyridine (10.35 g, 60 mmol) in H2S04 (100 mL), Cr03 (19.8 g, 198 mmol) was added at 0 °C. The mixture was stirred at 0 °C for 1 h and then was allowed to warm to room temperature and stirred overnight. The mixture was poured into ice water (500 mL). The resulting solid was filtered and dried to give 2-chloro-5-nitro-isonicotinic acid (8.89 g, yield: 73percent) as a white solid. MS: m/z 200.9 (M-H+). |
18 g | at 0 - 20℃; for 13 h; | 2-Chloro-4-methyl-5-nitropyridine (20.5 g, 119 mmol) was dissolved in concentrated sulfuric acid (200 ml), and chromium trioxide (40.0 g, 400 mmol) was added thereto, followed by stirring at 0° C. for 1 hour. Then, the temperature was gradually raised from 0° C. to room temperature, followed by stirring for 12 hours. The reaction solution was poured into ice-water (2000 ml), and the temperature was raised from 0° C. to room temperature. The precipitated solid was filtered and dried under reduced pressure to obtain the title compound (18 g, 750). [0144] 1H NMR (CD3OD, 400 MHz): δ 10.8 (1H, br, s), 9.13 (1H, s), 7.70 (1H, s) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
100% | In tetrahydrofuran; at 20 - 80℃; for 2h; | To 2-chloro-4-methyl-5-nitropyridine (2.78 g, 16.1 mmol), at r. t. , under N2, was added Me2NH 2N/THF (55.4 mL). The reaction mixture was heated at 80C for 2 hr. It was cooled down to r. t. and partitioned between CH2CI2 and water. The phases were separated and the aqueous layer was further extracted with CH2CI2 (3X30 mL). The combined organic extracts were dried over anh. NA2SO4, the solids were filtered and the solvent evaporated. The crude title compound was used in the next step without further purification (2.97 g, quantitative yield). NMR ('H, CDCI3) : 8 8.99 (s, 1 H), 6.24 (s, 1 H), 3.2 (s, 6H), 2.62 (s, 3H). MS (M/Z) : 182 [MH] +. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
78% | With chromium(VI) oxide; sulfuric acid; at 0 - 20℃; | 2-chloro-4-methyl-5-nitropyridine (31 g, 180 mmol) was dissolved in conc.H2SO4 (300mL) and the resulting mixture was cooled to 0 C. CrO3 (59.4 g, 594 mmol) was added to the solution. After stirring for 1 h at 0 C, the mixture was warmed up to room temperature and stirred overnight. It was poured into ice-water (1 L). The mixture was warmed up to room temperature and filtered. The solid was then washed with water ( 2 L) and dried in vacuo to afford the desired product as a white solid (28.5g, 78%); LC/MS: MS(ES) m/e 203 (MH=); 1H NMR (300 MHz, DMSO-d6) delta ppm 8.04 (s, 1 H), 9.16 (s, 1 H). |
77% | With chromium(VI) oxide; sulfuric acid; at 0 - 20℃; | Chromium trioxide (40.0 g, 40 mmol) was added to a solution of 2-chloro-4-methyl-5-nitropyridine (20.0 g, 11.6 mmol) in sulfuric acid (200 mL) at 0 C. After the addition was completed, the mixture was stirred at 0 C. for 1 h, then slowly warmed to room temperature and stirred overnight, and then poured into ice water (1 L) and filtrated to obtain 2-chloro-5-nitroisonicotinic acid (18 g, yield: 77%). MS (ESI): m/z 201.1 [M-1]-. |
75% | With chromium(VI) oxide; sulfuric acid; at 0 - 20℃; for 13h; | (Step 1) 2-Chloro-5-nitro-pyridine-4-carboxylic acid (0167) (0168) 2-Chloro-4-methyl-5-nitro-pyridine (20.5 g, 119 mmol) was dissolved in concentrated sulfuric acid (200 ml), the resulting solution was cooled to 0 C., then chromium(VI) oxide (40.0 g, 400 mmol) was added thereto, and the resulting mixture was stirred at 0 C. for 1 hour and then at room temperature for 12 hours. The reaction liquid was diluted with water (2,000 ml), and the precipitated solid was filtered and dried to obtain the title compound (18.0 g, 75%). (0169) 1H NMR (400 MHz, CD3OD): delta 10.8 (br, s, 1H), 9.13 (s, 1H), 7.70 (s, 1H). |
73% | With chromium(VI) oxide; sulfuric acid; at 0 - 20℃; for 1h;Inert atmosphere; | [00610] Step 1: To a solution of 2-chloro-4-methyl-5-nitro-pyridine (10.35 g, 60 mmol) in H2S04 (100 mL), Cr03 (19.8 g, 198 mmol) was added at 0 C. The mixture was stirred at 0 C for 1 h and then was allowed to warm to room temperature and stirred overnight. The mixture was poured into ice water (500 mL). The resulting solid was filtered and dried to give 2-chloro-5-nitro-isonicotinic acid (8.89 g, yield: 73%) as a white solid. MS: m/z 200.9 (M-H+). |
With chromium(VI) oxide; sulfuric acid; at 0 - 20℃; | A solution of 2-chloro-4-methyl-5-nitropyridine (5.13 g, 29.73 mmol) in concentrated sulfuric acid (42 mL) was cooled to 0 C., and chromium trioxide (9.81 g, 98.1 mmol) was added. The mixture was stirred at 0 C. for 1 hour and then warmed to room temperature, with an oil bubbler attached, for overnight stirring. The reaction mixture was poured onto ice (300 ml) and diluted with water (150 ml). The mixture was warmed to room temperature, and the solid was filtered and then dried under vacuum to yield 2-chloro-5-nitroisonicotinic acid. To a stirred solution of the above material (5.3 g, 26.17 mmol) in methanol (50 ml) was added chloroform (200 ml). TMS-diazomethane as a solution in hexane (2M) was added dropwise until the color of the reaction mixture remained yellow (20 mL). The residual TMS-diazomethane was quenched by addition of acetic acid, and the solvent was removed under reduced pressure. The oily residue was subjected to silica gel chromatography eluted with 50-70% ethyl acetate in hexane to provide methyl 2-chloro-5-nitroisonicotinate. A solution of the above material (5.66 g, 26.13 mmol), methyl 4'-(aminomethyl)-3,3'-difluorobiphenyl-2-carboxylate (7.971 g, 28.75 mmol, prepared according to procedures described in WO 03/066577), and triethylamine (3.97 g, 39.20 mmol) in methanol (100 ml) was stirred at room temperature overnight. The solution was then heated at 60 C. for 4 hours and cooled to ambient temperature for continued stirring over the weekend. Solvent was removed, and the residue was subjected to silica gel chromatography eluted with 25-50% ethyl acetate in hexane to provide methyl 2-([3,3'-difluoro-2'-(methoxycarbonyl)biphenyl-4-yl]methyl}amino)-5-nitroisonicotinate as a yellow solid. A solution of the above material (9.3 g, 20.33 mmol) in methanol (330 ml) was purged with nitrogen, and 10% Pd/C catalyst (1 g) was added. The reaction vessel was again purged with nitrogen and then with hydrogen from a balloon. After 23 hours of stirring under hydrogen, nitrogen was bubbled through the solution for 10 minutes prior to filtration through a celite pad. The filtrate was concentrated under reduced pressure to provide methyl 5-amino-2-([3,3'-difluoro-2'-(methoxycarbonyl)biphenyl-4-yl]methyl}amino)isonicotinate. Into a solution of the above material (8.45 g, 19.77 mmol) in THF (440 ml) at 0 C. were added hypophosphorous acid (50% solution in water, 110 ml) and sodium nitrite (2.73 g, 39.54 mmol). After 10 minutes of stirring, a catalytic amount of copper (I) oxide was added every 30 minutes for 7.5 hours. The reaction mixture was partitioned between ethyl acetate and water, and the aqueous layer was extracted with additional ethyl acetate. The combined organic layers were washed with saturated sodium bicarbonate and brine, then dried over sodium sulfate, filtered, and concentrated under reduced pressure. The residue was subjected to silica gel chromatography eluted with 20-40% ethyl acetate in hexane to provide methyl 2-([3,3'-difluoro-2'-(methoxycarbonyl)biphenyl-4-yl]methyl}amino)isonicotinate. To a stirred solution of the above material (3.96 g, 9.60 mmol) in methanol (85 ml) was added 1N NaOH (11.5 ml), and the solution was heated at 40 C. for 3.5 hours. Solvent was removed under reduced pressure prior to dilution with water. The aqueous solution was washed with diethyl ether twice, and the residual diethyl ether in the aqueous solution was removed under reduced pressure. The aqueous solution was neutralized by addition of 1N HCl (11.5 ml), and the resulting thick suspension was heated (70 C.) and then slowly cooled to ambient temperature before being cooled to 0 C. for 30 minutes. The solid was filtered and dried under vacuum, providing the title compound as a white solid. LRMS (ES, M+H+): 399. 1H NMR (CD3OD, 400 MHz) delta 8.04 (d, J=5.6 Hz, 1H), 7.55 (m, 1H), 7.44 (t, J=8 Hz, 1H), 7.23 (m, 3H), 7.10 (m, 3H), 4.65 (s, 2H), 3.66 (s, 3H). | |
With chromium(VI) oxide; sulfuric acid; at 0 - 20℃; | EXAMPLE 10 Methyl 3,3,'-difluoro-4'-([2-(4-pyridin-4-ylpiperazin-1-yl)isonicotinoyl]amino}-methyl)biphenyl-2-carboxylate Commercially available 2-chloro-4-methyl-5-nitropyridine (5.13 g, 29.73 mmol) was dissolved in 42 ml conc. sulfuric acid. The resulting solution was cooled to 0 C., and chromium trioxide (9.81 g, 98.1 mmol) was added to the solution. After 1 hour of stirring at 0 C., the mixture was warmed to room temperature with a bubbler attached to the flask. After overnight stirring, the reaction mixture was poured onto ice (300 ml) and diluted with water (150 ml). The mixture was allowed to warm to room temperature and the solid was filtered and dried under vacuum overnight to get 2-chloro-5-nitroisonicotinic acid as a light green solid. | |
With sodium dichromate; sulfuric acid; at 15 - 20℃;Cooling with ice; | Intermediate 25A: 2-Chloro-5-nitroisonicotinic acid 2-chloro-4-methyl-5-nitropyridine (1 .0 g, 5.8 mmol) was cooled using an ice water bath. Sodium dichromate dihydrate (3.45 g, 1 1 .6 mmol) dissolved in sulphuric acid (50 mL) was added dropwise, ensuring reaction temperature does not exceed 15C. After complete addition, reaction allowed to warm to room temperature and stirred overnight. Quenched with ice, extracted into ethylacetate and concentrated under reduced pressure to afford 2- chloro-5-nitroisonicotinic acid (1.3 g, 6.4 mmol). | |
With sodium dichromate; sulfuric acid; at 60℃; for 6h; | Synthesis of the compound 33 The compound 32 (9.45 g, 0.055 mol) was dissolved in a concentrated sulphuric acid (80mL) with agitation, a sodium dichromate (19.2 g, 0.065 mol) was added slowly in batches into the system, and the reaction was run at 60C for 6 h. The above reaction liquid was added slowly into broken ice (250 g) and extracted with ethyl acetate (300 mL) three times. The extracts were combined and washed with a saturated aqueous solution of table salt. The solvent was evaporated off and 8.65 g of the crude product was obtained with a yield of 77.6%. The crude product was recrystallized in a mixture of ethanol and petroleum ether (1:2) to obtain a white solid product with the melting point of 193.3-193.6C (ethanol/petroleum ether). | |
18 g | With chromium(VI) oxide; sulfuric acid; at 0 - 20℃; for 13h; | 2-Chloro-4-methyl-5-nitropyridine (20.5 g, 119 mmol) was dissolved in concentrated sulfuric acid (200 ml), and chromium trioxide (40.0 g, 400 mmol) was added thereto, followed by stirring at 0 C. for 1 hour. Then, the temperature was gradually raised from 0 C. to room temperature, followed by stirring for 12 hours. The reaction solution was poured into ice-water (2000 ml), and the temperature was raised from 0 C. to room temperature. The precipitated solid was filtered and dried under reduced pressure to obtain the title compound (18 g, 750). [0144] 1H NMR (CD3OD, 400 MHz): delta 10.8 (1H, br, s), 9.13 (1H, s), 7.70 (1H, s) |
With potassium dichromate; sulfuric acid; at 60℃; for 14h; | To a solution of 2-chloro-4-methyl-5-nitropyridine (46 g, 267 mmol) in H2SO4(400 ml) was added K2Cr2O7(98 g, 333 mmol) in several portions at 60 . The resulting mixture was stirred at the same temperature for 14 h to give a dark green solution. After cooling, the mixture was poured into ice (250 g) carefully and the aqueous was extracted with EtOAc (500 ml*3) . The organic phase was concentrated under reduced pressure to give the product as a solid which was used in next step without further purification. MS (ESI) calcd. for (C6H4ClN2O4) [M+H] +, 203.0, found, 203.0 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95% | With thionyl chloride; In N-methyl-acetamide; dichloromethane; toluene; | EXAMPLE 12 5-Methoxypyrrolo[2,3-c]pyridine (Compound 9) A mixture of 4-methyl-5-nitro-1H-pyridine-2-one (5.00 g, 32.44 mmol), thionyl chloride (20 ml), and two drops of dimethylformamide was heated atreflux under nitrogen for 52 hours. The resultant orange colored solution was evaporated under reduced pressure, and a small amount of anhydrous toluene was added and then removed via evaporation under reduced pressure to remove traces of thionyl chloride. The residual oil then passed througha silica gel filter (dried at 150 C. under vacuum overnight, approximately 100 g) followed by methylene chloride (1 1). This filtrate was evaporated under reduced pressure to afford 2-chloro-4-methyl-5-nitropyridine (5.30 g, 30.71 mmol, 95%) as an orange oil, which crystallized below 0 C.; IR (CHCl3) 1605, 1550, 1520, 1450, 1360, 1345 cm-1; 1 H NMR (CDCl3) delta 9.03 (s, 1H), 7.83 (s, 1H), 2.60 (s, 3H); LRMS (m/z, relative intensity) 174 (25), 173 (19), 172 (M+, 68), 157 (74), 155 (100), 128 (27), 101 (47), 100(55], 99 (74), 90 (43), 75 (36). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Zinc (15.97 g, 244.0 mmol) was suspended in acetic acid (240 ml) and cooled to 0C. Solid 2-(2-chloro-5-nitropyridin-4-yl)-N,N-dimethylethenamine (5.56 g, 24.42 mmol) was added portion- wise over about 5 minutes and then the reaction mixture was placed under an atmosphere of argon. The reaction was stirred for 18 h, after which time LCMS analysis indicated that the reaction was complete. The mixture was filtered through Celite, washing with EtOAc. The filtrate was concentrated to give a brown oil. The reaction mixture was partitioned between EtOAc and IN NaOH. The aqueous layer was extracted with EtOAc (3x) and the combined organic layer was dried over Na2S04, filtered and concentrated. The residue was adsorbed onto silica gel and purified by flash column chromatography on silica gel, eluting with EtOAc/isohexane (0-100%) to give 2.79 g of an off-white solid, that is approximately a 10: 1 mixture of the title compound along with 5-methoxy-lH-pyrrolo[2,3-c]pyridine as a minor impurity. The mixture was taken forward into the next step as is. LRMS (ESI) calc'd for (C7H5C1N2) [M+H]+, 153; found 153 |
Tags: 23056-33-9 synthesis path| 23056-33-9 SDS| 23056-33-9 COA| 23056-33-9 purity| 23056-33-9 application| 23056-33-9 NMR| 23056-33-9 COA| 23056-33-9 structure
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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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