Structure of 1975-51-5
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CAS No. : | 1975-51-5 |
Formula : | C8H7NO4 |
M.W : | 181.15 |
SMILES Code : | C1=C(C(=CC=C1[N+]([O-])=O)C(=O)O)C |
MDL No. : | MFCD00210697 |
InChI Key : | XXXOBNJIIZQSPT-UHFFFAOYSA-N |
Pubchem ID : | 74790 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H332-H335 |
Precautionary Statements: | P261-P280-P305+P351+P338 |
Num. heavy atoms | 13 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.12 |
Num. rotatable bonds | 2 |
Num. H-bond acceptors | 4.0 |
Num. H-bond donors | 1.0 |
Molar Refractivity | 47.19 |
TPSA ? Topological Polar Surface Area: Calculated from |
83.12 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
1.06 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
1.65 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
1.6 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
0.84 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
-0.47 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
0.94 |
Log S (ESOL):? ESOL: Topological method implemented from |
-2.21 |
Solubility | 1.11 mg/ml ; 0.00614 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-3.01 |
Solubility | 0.177 mg/ml ; 0.00098 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-1.54 |
Solubility | 5.24 mg/ml ; 0.0289 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 |
-6.23 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 |
0.56 |
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) |
1.59 |
* 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% | With thionyl chloride; at 70℃; for 18h; | Intermediate 5; Methyl 2-methyl-4-nitrobenzoate; SOCI2 was added to a solution of 2-methyl-4-nitrobenzoic acid (3 g, 16.5 mmol) in methanol dropwise. The reaction mixture was stirred at 70C for 18 hours. The mixture was evaporated and the residue was diluted with diethyl ether, washed with water and NaOH 1 N. The organic phase was dried over Na2SO4, filtered and evaporated to give the title compound as dark yellow solid (3.25 g, quantitative yield). NMR1H NMR (300 MHz), CDCI3 delta: 7.95 (m, 3H), 3.86 (s, 3H), 2.59 (s, 3H). |
98% | With thionyl chloride; at 70℃; for 7h; | Under ice bath was added SOCl2 dropwise anhydrous methanol (100ml) in. And then a solution of 2-methyl-4-nitrobenzoic acid (10.0 g, 55.2 mmol) in anhydrous methanol (70mL) solution, 1 hour addition was complete. This mixed system placed in an oil bath at 70 C 7 hours, TLC the reaction was complete. Cooling, the solvent was distilled off under reduced pressure. The residue was dissolved in ethyl acetate (100 mL) was added saturated sodium bicarbonate (100 mL), separated, the aqueous phase was extracted once with ethyl acetate (50mL). The combined organic phase was dried over anhydrous magnesium sulfate, filtered, and the solvent was distilled off under reduced pressure, and dried under high vacuum to give a white solid 10.5g, 98% yield |
96% | With sulfuric acid; for 15h;Reflux; | Example 1) l-MethyI-lH-imidazole-4-suIfonic acid (4-chloro-benzyI)-(2-ethyI-l- oxo-2,3-dihydro-lH-isoindol-5-yl)-amide (Method A)i) 2-Methyl-4-nitro-benzoic acid methyl ester2-Methyl-4-nitrobenzoic acid (2.00 g, 11.00 mmol) was stirred in concentrated sulfuric acid (0.6 ml) and methanol (25 ml) at reflux for 15 hrs. Reaction was cooled and the solvent evaporated. The resulting residue was partitioned between water and dichloromethane and the organic phase separated. The aqueous phase was extracted with dichloromethane (x3) and the combined organics washed with brine, then dried (MgSO4) and evaporated in vacuo to yield the title compound as a pale yellow solid (1.89 g, 96%). HPLC retention time 4.39min. |
95.3% | With sulfuric acid; at 0 - 70℃; for 24.5h; | Step 1: Synthesis of 2-Methyl-4-nitro-benzoic acid methyl ester To a solution of 2-methyl-4-nitro-benzoic acid (3 g, 16.56 mmole) in 30 ml methanol was added at 0 C. sulfuric acid (95-98%, 10 ml) slowly for ½ hr. The reaction mixture was stirred at 70 C. for 24 hrs. Mixture was cooled down, a solid precipitated out, then the mixture was concentrated, diluted with 50 ml water, stirred for 10 minutes, filtered off, the solid was washed with water, dried to afford 3.08 g of brown solid, 95.3% yield, pure by H NMR. |
94.65% | With sulfuric acid; for 15h;Reflux; | In a 250 mL, 3-neck round-bottomed flask, 2-methyl-4-nitrobenzoic acid (20 g, 93.8 mmol) was charged with methanol (100 mL) and sulfuric acid (4 mL). The reaction mixture was refluxed for 15 h. After completion, the reaction mixture was concentrated to obtain the crude product which was added water (200 mL) and basified to pH 7-8 with aqueous NaHC03 solution. Aqueous solution was extracted with dichloromethane (250 mL X 3), the organic layer was washed with saturated brine solution followed by drying over anhydrous sodium sulphate. The solvent was removed to obtain methyl 2-methyl-4- nitrobenzoate 1), 20 g; Yield: 94.65%. |
93% | With thionyl chloride; at 0 - 80℃; for 2h; | SOCl2 (2.6 g, 22.0 mmol) was slowly added to the solution of 2-methyl-4- nitrobenzoic acid (61.1) (2.0 g, 11.0 mmol) in MeOH (20 mL) at 0 C. The resulting mixture was heated at 80 C for 2 h. After cooling to room temperature, the reaction mixture was concentrated to afford methyl 2-methyl-4-nitrobenzoate (61.2) as a yellow oil (2.0 g, 93%). |
91.3% | With thionyl chloride; at 12 - 20℃; for 12h; | Thionyl chloride (4.3 g, 36.45 mmol) was added dropwise to a stirred solution of 18 (3 g, 16.57 mmol) in MeOH (25 mL) while maintaining the internal temperature below 12 C. When the addition was complete the mixture was left to stand at room temperature for 12 h to result a white precipitation. The mixture was filtered and the filtrate was concentrated under reduced pressure to afford white solid. The solid was washed with hexane and ethyl ether to afford 19 (2.95 g, 91.3%); mp 153.7-154.4 C (lit.39 mp 153-154 C); Rf 0.43 (hexane/EtOAc 3:1); 1H NMR (CDCl3) delta 2.69 (s, 3H, CH3), 3.95 (s, 3H, COOCH3), 8.02-8.11 (m, 3H, C6H3). |
90.9% | With sulfuric acid; at 20 - 60℃; | EXAMPLE 75 2-Methyl-4-nitro-benzoic acid methyl ester (1) In accordance with general method S, 5.00 g (27.60 mmol) of 2-methyl-4-nitro-benzoic acid are dissolved in 20 ml of methanol, with heating, and 6 ml of concentrated sulfuric acid are added. The mixture is refluxed for 5 h. Yield: 4.90 g (90.9%); melting point: 73.6 C. C9H9NO3(Mr=195.18); GC (method 1) 9.55 min 1H-NMR (CDCl3) in ppm: 8.19-8.09 (m, 2H, aryl H), 7.99 (d, 1H, J=8.52 Hz, aryl H), 3.87 (s, 3H, -OCH3), 2.59 (s, 3H, -CH3) 13C-NMR (CDCl3) in ppm: 166.35 (-C=O), 159.29 (C4), 141.79 (C2), 135.14 (C1), 131.43 (C6), 126.06 (C3), 120.48 (C5), 52.37 (-OCH3), 21.50 (-CH3) IR (ATR) (cm-1): 1722, 1523, 1432, 1348, 1260, 1081, 896, 821, 786, 730 MS m/z (%): 195 (70), 164 (100), 134 (21), 118 (29), 63 (15). General Method SFor esterification of the acid group of the starting compound 2-methyl-4-nitro-benzoic acid, the stated amount is dissolved in methanol in a 100 ml one-necked flask at room temperature, concentrated H2SO4 is added and the mixture is refluxed at approx. 60 C. for 6 h. The excess alcohol is removed in vacuo, the residue is taken up in EtOAc and the mixture is deacidified repeatedly with 20% strength sodium hydroxide solution. After drying (Na2SO4), the combined organic phases are concentrated in vacuo. |
With hydrogenchloride; In 1,4-dioxane; for 48h;Heating / reflux; | Step 2:; A solution of the acid 11-2 from step 1 (3.60 g, 15.6 mmol) in MeOH (30 mL) and HCI (4N HCI in dioxane, 2.0 mL) was heated to reflux for 48 h. The solvent was evaporated to dryness under vacuum and the residue obtained was re-dissolved in EtOAc (200 mL). The solution was washed with aqueous saturated NaHC03 (100 mL) and brine (100 mL), dried over anhydrous MgS04 and evaporated to dryness to give the ester intermediate 11-3 as a yellow-colored solid (2.38 g). This material was used in step 3 without purification. | |
With sulfuric acid; at 55℃; for 50h; | 2-Methyl-4-nitrobenzoic acid methyl ester; [697] H2SO4 (98%, 0.030ml) was added dropwise into the MeOH (30mL) solutionof 2-methyl-4-nitrobenzoic acid at rt. The mixture was then heated at 55C. After 50h, thesolvent was removed in vacua and the residue was partitioned between EtOAc and H2O(25mL each). The aqueous layer was extracted with another portion of EtOAc (25mL). Thecombined extracts were washed with saturated NaHC03 (25mL), H2O (2 x 25mL), and brine(25mL), dried over MgS04, filtered and concentrated in vacua to give the title compound aslight-yellow solid. 'H NMR (CDC13,400 MHz): 5 = 2.69 (s, 3 H), 3.95 (s, 3 H), 8.03 - 8.12(m, 3 H). MS (ES+): m/z 196.25 (100) [MH4]. HPLC: /R= 3.29 min (ZQ2000, polar_5 min). | |
Preparation of 5-amino-2,3-dihydro-1H-isoindol-1-one A mixture of 2-methyl-4-nitrobenzoic acid (0.906 g, 5 mmol) in sulfurous dichloride (5.95 g, 50 mmol) was refluxed for 1 hour and concentrated. The residue was dissolved in methanol (30 mL, 741 mmol) and triethylamine (2 g, 19.76 mmol) was added. The mixture was stirred at room temperature for 1 hour, concentrated, and partitioned between ethyl acetate and water. The organic layer was separated, dried over MgSO4, and filtered through Magnesol to give 862 mg of methyl 2-methyl-4-benzoate as a tan solid. | ||
sulfuric acid; In water; at 20 - 55℃; | Example 44Preparation of 5-[(2-((lS.2SV2-?-('5-chloropyrimidin-2-yl)piperidin-4- yl] cyclopropyl ) ethvDaminolisoindolin- 1 -oneStep 1 : methyl 2-methyl-4-nitrobenzoateSulfuric acid (6 ml, 113 mmol) was added to drop wise to a solution of the 2-methyl~4- nitrobenzoic acid (5 g, 27.6 mmol) in MeOH (138 ml) at RT. After the addition was complete the mixture was heated to 55 C overnight. The volatiles were removed in vacuum and the residue partitioned between EtOAc (100 ml) and water (100 ml). The layers were separated and aqueous phase extracted with EtOAc (2x100 ml). The organic fractions were combined, washed with saturated sodium bicarbonate (aqueous, 100ml), brine, dried over Na2SO4, filtered and the volatiles removed in vacuum to give the titled compound. | |
With sulfuric acid; for 10h;Reflux; | 2-methyl-4-nitrobenzoic acid (1.81g, 10.0mmol) was dissolved in CH3OH (10mL), concentrated sulfuric acid (2.0mL, 3.7eq).The reaction system was heated to reflux, the reaction 10h.Completion of the reaction, cooled to room temperature, and thereto was added Na2CO3And sulfuric acid, and then filtered. The mother liquor after removal of methanol, to give compound I The crude yield of 89%, can be used directly in the next reaction. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
100% | With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 2h; | Method L:Step a: [00293] A mixture of 2-methyl-4-nitrobenzoic acid (l eq.) iodomethane (1.1 eq.), K2CO3 (1.5 eq.), and 10 mL of DMF is stirred for 2hrs at room temperature, then poured into water and extracted with AcOEt. The extract is washed with water and brine, dried over anhydrous MgStheta4, and evaporated to afford the expected compound in quantative yield. |
89% | With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 3h; | A solution of 2-methyl-4-nitro-benzoic acid (10 g, 55 mmol), MeI (3.8 ml, 61 mmol) and K2CO3 (11.4 g, 83 mmol) in DMF was stirred for 3 h at RT after which the reaction was poured onto water and extracted in EtOAc. The organic fractions were washed with water and brine, dried over Na2SO4 and concentrated to give the desired product as an orange solid (9.57g, 89%). 1H NMR (400 MHz, DMSO-^6) delta ppm 2.60 (s, 3 H), 3.88 (s, 3 H), 8.00 (d, J=8.70 Hz, 1 H), 8.10 - 8.16 (m, 1 H), 8.21 (d, J=2.29 Hz, I H). |
With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 20℃; for 4h; | To a solution of7A (50 g, 0.27 mol) in DMF(500 mL) was added K2C03 (65 g, 0.54 mol). The mixture was cooled to 0C, CH31 wasadded dropwise. The reaction mixturewas stirred 4 hr at room temperature. The mixture was extracted with EtOAc and washedwith water, dried over Na2S04to afford crude7B (55 g) as yellow oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate; In diethyl ether; hexane; water; pyrographite; ethyl acetate; N,N-dimethyl-formamide; | Part A. Preparation of 4-Nitro-2-methylbenzoic Acid. A mixture of 1.0 g (3.8 mmol) of 2-iodo-nitrotoluene, 2.1 g (15.2 mmol) potassium carbonate and 27 mg (0.038 mmol) of palladium(II) dichloride bis(triphenylphosphine) in a mixture of 5 mL of water and 10 mL of N,N-dimethylformamide. This was placed in a Fisher/Porter bottle under 15 psig of carbon monoxideand heated at 70 C. for 16 hours. The solution became homogeneous when heated. The reaction was cooled, diethyl ether and water was added, the organic layer separated and discarded. The aqueous layer was acidified with IN hydrohloric acid, extracted with ethyl acetate, washed with water, brine, dried over magnesium sulfate, filtered and concentrated to yield 0.5 g of crude material. This dissolved in ethyl acetate, hexane added and the resulting brown solid discarded. The filtrate was concentrated, and then recrystallized fom diethyl ether/hexane to afford 215 mg of 4-nitro-2-methylbenzoic acid, m/e=182 (M+H). | |
With potassium carbonate; In diethyl ether; hexane; water; pyrographite; ethyl acetate; N,N-dimethyl-formamide; | Part A. Preparation of 4-Nitro-2-methylbenzoic Acid A mixture of 1.0 g (3.8 mmol) of 2-iodo-nitrotoluene, 2.1 g (15.2 mmol) potassium carbonate and 27 mg (0.038 mmol) of palladium(II) dichloride bis(triphenylphosphine) in a mixture of 5 mL of water and 10 mL of N,N-dimethylformamide. This was placed in a Fisher/Porter bottle under 15 psig of carbon monoxideand heated at 70 C. for 16 hours. The solution became homogeneous when heated. The reaction was cooled, diethyl ether and water was added, the organic layer separated and discarded. The aqueous layer was acidified with 1N hydrohloric acid, extracted with ethyl acetate, washed with water, brine, dried over magnesium sulfate, filtered and concentrated to yield 0.5 g of crude material. This dissolved in ethyl acetate, hexane added and the resulting brown solid discarded. The filtrate was concentrated, and then recrystallized fom diethyl ether/hexane to afford 215 mg of 4-nitro-2-methylbenzoic acid, m/e=182(M+H). | |
With potassium carbonate; In diethyl ether; hexane; water; pyrographite; ethyl acetate; N,N-dimethyl-formamide; | Part A. Preparation of 4-Nitro-2-methylbenzoic Acid. A mixture of 1.0 g(3.8 mmol) of 2-iodo-nitrotoluene, 2.1 g(15.2 mmol) potassium carbonate and 27 mg(0.038 mmol) of palladium(II) dichloride bis(triphenylphosphine) in a mixture of 5 mL of water and 10 mL of N,N-dimethylformamide. This was placed in a Fisher/Porter bottle under 15 psig of carbon monoxideand heated at 70 C for 16 hours. The solution became homogeneous when heated. The reaction was cooled, diethyl ether and water was added, the organic layer separated and discarded. The aqueous layer was acidified with iN hydrohloric acid, extracted with ethyl acetate, washed with water, brine, dried over magnesium sulfate, filtered and concentrated to yield 0.5 g of crude material. This dissolved in ethyl acetate, hexane added and the resulting brown solid discarded. The filtrate was concentrated, and then recrystallized fom diethyl ether/hexane to afford 215 mg of 4-nitro-2-methylbenzoic acid, m/e=182(M+H). |
Tags: 1975-51-5 synthesis path| 1975-51-5 SDS| 1975-51-5 COA| 1975-51-5 purity| 1975-51-5 application| 1975-51-5 NMR| 1975-51-5 COA| 1975-51-5 structure
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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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