Structure of 3970-39-6
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CAS No. : | 3970-39-6 |
Formula : | C7H6ClNO3 |
M.W : | 187.58 |
SMILES Code : | ClC1=C(C=CC=C1[N+](=O)[O-])OC |
MDL No. : | MFCD11035883 |
Boiling Point : | No data available |
InChI Key : | XVBAPYDWAVGVGW-UHFFFAOYSA-N |
Pubchem ID : | 12411827 |
GHS Pictogram: | ![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Num. heavy atoms | 12 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.14 |
Num. rotatable bonds | 2 |
Num. H-bond acceptors | 3.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 46.77 |
TPSA ? Topological Polar Surface Area: Calculated from | 55.05 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from | 1.55 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by | 1.49 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from | 2.26 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from | 1.21 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by | 0.32 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions | 1.37 |
Log S (ESOL):? ESOL: Topological method implemented from | -2.18 |
Solubility | 1.24 mg/ml ; 0.00661 mol/l |
Class? Solubility class: Log S scale | Soluble |
Log S (Ali)? Ali: Topological method implemented from | -2.25 |
Solubility | 1.05 mg/ml ; 0.00558 mol/l |
Class? Solubility class: Log S scale | Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by | -2.52 |
Solubility | 0.561 mg/ml ; 0.00299 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 | -6.39 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 | 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) | 2.03 |
* 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 iron; acetic acid; In ethanol; for 3.5h;Heating / reflux; | 2-Chloro-3-nitroanisole C3 (1.38 g; 7.36 MMOL) was dissolved in a mixture of glacial acetic acid (19 ML)/ETHANOI (19 mL). To this solution was added iron powder (1.64 g; 29.4 MMOL). The mixture was stirred at reflux for 3.5 hr and worked up. The reaction mixture was diluted with water (70 mL), neutralized with solid NA2CO3 and the product extracted with CH2CI2 (3X 150 mL). The extracts were combined and washed with saturated. brine and then dried(NA2SO4), filtered and concentrated in vacuo to afford the crude product, 2-chloro-3-methoxyaniline C4 (100%; 1.2 g) as a yellow oil. This material was used as such in the following steps. MS 157.9 (MH) + ; Homogeneity by HPLC (TFA) 220 nm: 86%. |
100% | With iron; acetic acid; In ethanol; for 3.5h;Heating / reflux; | Step C:; 2-Chloro-3-nitroanisole 1c2 (1.38 g; 7.36 mmol) was dissolved in a mixture ofglacial acetic acid (19 mL)/ethanol (19 mL). To this solution was added iron powder(1.64 g; 29.4 mmol). The mixture was stirred at reflux for 3.5 hr and worked up. Thereaction mixture was diluted with water (70 ml_), neutralized with solid Na2CO3 and theproduct extracted with CH2CI2 (3 X 150 ml). The extracts were combined and washedwith sat. brine and then dried(Na2SO4), filtered and concentrated in vacua toafford the crude product, 2-chloro-3-methoxyaniline 1c3 (100%; 1.2 g) as a yellow oil.This material was used as such in the following steps. MS 157.9 (MH)+; Homogeneityby HPLC (TFA) (at) 220nm: 86%. |
100% | With iron; acetic acid; In ethanol; for 3.5h;Heating / reflux; | 2-Chloro-3-nitroanisole 1c2 (1.38 g; 7.36 mmol) was dissolved in a mixture of glacial acetic acid (19 mL)/ethanol (19 mL). To this solution was added iron powder (1.64 g; 29.4 mmol). The mixture was stirred at reflux for 3.5 hr and worked up. The reaction mixture was diluted with water (70 mL), neutralized with solid Na2CO3 and the product extracted with CH2Cl2 (3*150 mL). The extracts were combined and washed with sat. brine and then dried(Na2SO4), filtered and concentrated in vacuo to afford the crude product, 2-chloro-3-methoxyaniline 1c3 (100%; 1.2 g) as a yellow oil. This material was used as such in the following steps. MS 157.9 (MH)+; Homogeneity by HPLC (TFA)a220 nm: 86%. |
100% | With iron; acetic acid; In ethanol; for 3.5h;Heating / reflux; | 2-Chloro-3-nitroanisole 2c2 (1.38 g; 7.36 mmol) was dissolved in a mixtureof glacial acetic acid (19 ml_ )/ethanol (19 ml_). To this solution was added ironpowder (1.64 g; 29.4 mmol). The mixture was stirred at reflux for 3.5 hr and workedup. The reaction mixture was diluted with water (70 ml), neutralized with solidNa2CO3 and the product extracted with CH2CI2( 3X 150 ml). The extracts werecombined and washed with sat. brine and then dried(Na2SO4), filtered andconcentrated in vacua to afford the crude product, 2-chloro-3-methoxyaniline 2c3(100%; 1.2 g) as a yellow oil. This material was used as such in the following steps.MS 157.9 (MH)+; Homogeneity by HPLC (TFA) (at) 220nm: 86%. |
With iron; acetic acid; at 45 - 80℃; for 2h; | (iii) Iron powder (3.63 g, 65.0 mmol) was suspended in acetic acid (50 ml) and warmed to 4O0C with mechanical stirring. 2-Chloro-3-nitrophenyl methyl ether (2.44 g, 13.01 mmol) dissolved in acetic acid (25 ml) was added at such a rate as to maintain a temperature of 45-5O0C. The mixture was heated at 80 0C for 2 hours after the addition had been completed. The mixture was filtered through celite and concentrated in vacuo. The residue was partitioned between ethyl acetate and 10% 0.880 ammonia solution. Solids were removed by filtration through celite and the aqueous extracted in to ethyl acetate (x3). The combined extracts were washed with water, brine, dried over anhydrous sodium sulfate and concentrated to an oil. The crude product was purified by flash-silica gel chromatography, eluting with a 0-100% gradient of ethyl acetate in isohexane to afford 2-chloro-3-(methyloxy)aniline (1.66 g). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
b) 2-Chloro-1-methoxy-3-nitro-benzene; To a mixture consisting of 15.5g (92. 26mmol) 2-methoxy-6-nitro-phenylamine, 31 ml water and 31ml conc. HCI, a solution of 6.36g (92. 26mmol) NaNO2 in 38ml water is slowly added dropwise at-10C-0C. After stirring for 0.5h the mixture is slowly added to a solution of 11.88g (120mol) CuCI in 93ml conc. HCI. After completion of the addition stirring is continued for 1.5h at room temperature and for 0.5h at reflux temperature. The reaction mixture is allowed to cool to room temperature and is poured on water and extracted (3x) with ethyl acetate. The combined organic layers are washed with water (2x) and brine, dried over MgSO4, filtered and concentrated in vacuo. The residue is purified by flash- chromatography on silica gel (hexane: EtOAc = 3: 1) to afford 12. 6g of the title compound as a crystalline solid. | ||
16.5 g | INTERMEDIATE: (5-Methoxy-3-methyl-quinoxalin-2-yl)-hydrazine (lie). 2-Methoxy-6-nitro- phenylamine (25.0 g) was dissolved in 37% aq HC1, and the mixture ws cooled on an ice/water bath. A solution of NaN02 (11.8 g) in water (3 mL) was added, and the resulting mixture was stirred at 0 C for 15 min. The reaction mixture was added to a solution of cuprous monochloride (14.7 g) in 37% aq HC1 (10 mL) under stirring at 45-50 C. The resulting mixture was stirred at 50 C for 15 min, cooled at 5 C for 15 min. The solid was filtered off and dried to give 2-chloro-l-methoxy-3- nitrobenzene (16.5 g). A mixture of 16 g of this material, racemic alanine (17 g), and K2CO3 (12 g) was heated in DMSO (180 mL) at 100 C for 24h. The volatiles were removed using a freeze dryer. The residue was acidified with 2M aq HC1 (50 mL) and extracted into EtOAc. The organic extract was extracted with 2M aq Na2C03 and water. The combined aq extracts were acidified with 2M aq HC1 and extracted with EtOAc. The organic layer was washed with brine, dried over MgSO i, filtered, and concentrated in vacuo to afford 2-(2-methoxy-6-nitro-phenylamino)-propionic acid. This material was dissolved in ethanol (600 mL) and 96%> sulphuric acid (6 mL) was added. The mixture was heated at 80 C overnight. The volatiles were removed in vacuo and the residue was dissolved in EtOAc and washed with 2M aq Na2C03. The organic layer was dried over MgSO i, filtered, and concentrated in vacuo to afford 2-(2-methoxy-6-nitro-phenylamino)-propionic acid ethyl ester (8.0 g). This material was dissolved in ethanol (300 mL) and 5% palladium on carbon was added. The mixture was treated with 3 bars of hydrogen pressure on a Parr shaker for 3h. The catalyst was filtered off, and the filtrate was concentrated in vacuo. The residue was purified by chromatography on silica (eluent: heptanes? EtOAc) to afford 5-methoxy-3-methyl-3,4-dihydro- lH-quinoxalin-2-one (3.0 g). This material was dissolved in ethanol (300 mL) and treated with 30% aq hydrogen peroxide at 80 C overnight. Most of the volatiles were removed in vacuo. The residue was suspended in ethanol (10 mL) and cooled on an ice/water bath before the solid was filtered off, washed with ice-cold ethanol, and dried to afford 5-methoxy-3-methyl-lH-quinoxalin-2-one (2.2 g). This material was dissolved in phosphoryl chloride (24 mL) and heated at 130 C for 2h. The volatiles were removed in vacuo. The residue was partitioned between chloroform and ice + 2M aq NaOH. The organic layer was dried over MgSO i, filtered, and concentrated in vacuo to afford 2- chloro-5-methoxy-3-methyl-quinoxaline (2.5 g). This material was dissolved in ethanol (22 mL), hydrazine hydrate (2.9 mL) was added, and the mixture was refluxed for 2h. The volatiles were removed in vacuo, and water was added. The solid was filtered off, washed with water and heptanes and dried to afford lie (1.70 g) sufficiently pure for the next step. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98% | With caesium carbonate; In DMF (N,N-dimethyl-formamide); at 18 - 22℃; | The nitrophenol starting material C2 (1.3 g; 7.49 MMOL) was dissolved in DMF (10 mL) and to this solution was added ground cesium carbonate (2.92 g; 8.96 MMOL), followed by Mel (1. 4 mL; 22. 5 MMOL). The mixture was stirred at room temperature overnight. The DMF was evaporated in vacuo and the residue taken up in ether (150 ML), washed with water (150 mL), brine (4x 100 mL), and then dried(MGSO4) THE organic phase was filtered and evaporated to afford the crude 2- CHLORO-3-NITROANISOLE C3 (98%; 1.38 g) as an orange solid. Homogeneity by HPLC (TFA) 220 nm: 93%. |
98% | With caesium carbonate; In N,N-dimethyl-formamide; at 20℃; | Step B:; The nitrophenol starting material 1c1 (1.3 g; 7.49 mmol) was dissolved inDMF (10 ml) and to this solution was added ground cesium carbonate (2.92 g; 8.96mmol), followed by Mel (1.4 ml; 22.5 mmol). The mixture was stirred at roomtemperature overnight. The DMF was evaporated in vacuo and the residue taken upin ether (150 ml), washed with water (150 ml), brine (4 X 100 mL), and then driedover (MgSO4). The organic phase was filtered and evaporated to afford the crude 2-chloro-3-nitroanisole 1c2 (98%; 1.38 g) as an orange solid. |
98% | With caesium carbonate; In DMF (N,N-dimethyl-formamide); at 20℃; | The nitrophenol starting material 1c1 (1.3 g; 7.49 mmol) was dissolved in DMF (10 mL) and to this solution was added ground cesium carbonate (2.92 g; 8.96 mmol), followed by MeI (1.4 mL; 22.5 mmol). The mixture was stirred at room temperature overnight. The DMF was evaporated in vacuo and the residue taken up in ether (150 mL), washed with water (150 mL), brine (4×100 mL), and then dried(MgSO4). The organic phase was filtered and evaporated to afford the crude 2-chloro-3-nitroanisole 1c2 (98%; 1.38 g) as an orange solid. |
98% | With caesium carbonate; In N,N-dimethyl-formamide; at 20℃; | The nitrophenol starting material 2c1 (1.3 g; 7.49 mmol) was dissolved inDMF (10 ml) and to this solution was added ground cesium carbonate (2.92 g; 8.96mmol), followed by Mel (1.4 ml; 22.5 mmol). The mixture was stirred at roomtemperature overnight. The DMF was evaporated in vacua and the residue taken upin ether (150 ml), washed with water (150 ml), brine (4 X 100 ml), and then driedover (MgSO4). The organic phase was filtered and evaporated to afford the crude 2-chloro-3-nitroanisole 2c2 (98%; 1.38 g) as an orange solid.Homogeneity by HPLC (TFA) (at) 220nm: 93%. |
With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20℃; | 3-Nitrophenol (10 g, 72 mmol) was dissolved in hot concentrated hydrochloric acid (100 ml) and cooled rapidly (ice-brine bath) to give a fine suspension. Potassium chlorate (8.8 g, 72 mmol) was dissolved in water (100 ml) and added to the mixture and stirring continued at 0C for 2 hours. The reaction mixture was extracted with ethyl acetate (2X100 ml) and the combined organic extracts washed with water (100 ml), brine (100 ml), dried over sodium sulfate and evaporated in vacuo (water bath temp <45C) to give 2-chloro-3-nitrophenol (not purified) (Rf 0. 38,33% EtOAc/Pet spirit). The crude residue was dissolved in DMF and to this was added potassium carbonate (19.3 g, 140 mmol) and methyl iodide (5.6 ml, 90 mmol). The reaction mixture was stirred overnight at room temperature before diluting with ethyl acetate (200 ml) and washing with water (4X100 ml) and brine (100 ml). The organic phase was dried over sodium sulfate to give 2-chloro-3-nitroanisole (not purified) (Rf 0. 61. 33% EtOAc/Pet spirit). The crude residue obtained was dissolved in 2-aminoethylmorpholine 15.7 ml, 120 mmol) and butanol (50 ml) and heated at 100C for 16 hours under an atmosphere of nitrogen. Excess reagent and solvent were removed in vacuo and the residue diluted with EtOAc (200 ml) and 1M NaOH (100 ml). The organic phase was separated and the remaining aqueous solution extracted with EtOAc (2X100 ml). The organic extracts were combined and washed with brine (100 ml), dried over sodium sulfate, filtered and evaporated. The crude product was columned (silica) using a gradient from petroleum spirit to EtOAc (Rf 0.17, 50% EtOAc/Pet Spirit) to give 2-methoxy-N-(2-morpholinoethyl)-6- nitrobenzenamine (7.0 g, 35% yield over 3 steps). ESMS 282 (M+H). | |
With potassium carbonate; In acetone; at 70℃; for 4h; | (ii) 2-Chloro-3-nitrophenol (2.61 g, 15.04 mmol) and potassium carbonate (3.12 g, 22.56 mmol) were suspended in acetone (50 ml). Methyl iodide (1.034 ml, 16.54 mmol) was added and the mixture heated at 70 0C for 4 hours. The solids were filtered, washed with acetone and the filtrate concentrated to a solid. The crude product was purified by flash-silica gel chromatography, eluting with a 0-100% gradient of ethyl acetate in isohexane to afford 2-chloro-3-nitrophenyl methyl ether (2.44 g). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
35% | In butan-1-ol; at 100℃; for 16h; | 3-Nitrophenol (10 g, 72 mmol) was dissolved in hot concentrated hydrochloric acid (100 ml) and cooled rapidly (ice-brine bath) to give a fine suspension. Potassium chlorate (8.8 g, 72 mmol) was dissolved in water (100 ml) and added to the mixture and stirring continued at 0C for 2 hours. The reaction mixture was extracted with ethyl acetate (2X100 ml) and the combined organic extracts washed with water (100 ml), brine (100 ml), dried over sodium sulfate and evaporated in vacuo (water bath temp <45C) to give 2-chloro-3-nitrophenol (not purified) (Rf 0. 38,33% EtOAc/Pet spirit). The crude residue was dissolved in DMF and to this was added potassium carbonate (19.3 g, 140 mmol) and methyl iodide (5.6 ml, 90 mmol). The reaction mixture was stirred overnight at room temperature before diluting with ethyl acetate (200 ml) and washing with water (4X100 ml) and brine (100 ml). The organic phase was dried over sodium sulfate to give <strong>[3970-39-6]2-chloro-3-nitroanisole</strong> (not purified) (Rf 0. 61. 33% EtOAc/Pet spirit). The crude residue obtained was dissolved in 2-aminoethylmorpholine 15.7 ml, 120 mmol) and butanol (50 ml) and heated at 100C for 16 hours under an atmosphere of nitrogen. Excess reagent and solvent were removed in vacuo and the residue diluted with EtOAc (200 ml) and 1M NaOH (100 ml). The organic phase was separated and the remaining aqueous solution extracted with EtOAc (2X100 ml). The organic extracts were combined and washed with brine (100 ml), dried over sodium sulfate, filtered and evaporated. The crude product was columned (silica) using a gradient from petroleum spirit to EtOAc (Rf 0.17, 50% EtOAc/Pet Spirit) to give 2-methoxy-N-(2-morpholinoethyl)-6- nitrobenzenamine (7.0 g, 35% yield over 3 steps). ESMS 282 (M+H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With N-ethyl-N,N-diisopropylamine; at 180℃; for 0.416667h; | c) (2-Methoxy-ethyl)- (2-methoxy-6-nitro-phenyl)-amine; A mixture of 7.5g (40mol) <strong>[3970-39-6]2-chloro-1-methoxy-3-nitro-benzene</strong>, 14ml diisopropylethylamine and 35ml 2-methoxyethyl amine is heated (180C oil bath temperature) in a closed steel reactor for 25 min. Then the reaction mixture is cooled to room temperature and is concentrated in vacuo (3 x coevaporation with toluene) to obtain ca. 20g (which contains 85% of the title compound) of a red oil which is used without further purification in the next step. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; zinc; In tetrahydrofuran; | a. 2,2'-Dichloro-3,3'-dimethoxyhydrazobenzene To a stirred solution of THF (30 ml) and <strong>[3970-39-6]2-chloro-3-methoxynitrobenzene</strong> (10 g, 53.3 mM), was added 50% NaOH (2.5 ml, 62.5 mM) and the resultant solution was heated to 65 C. Zinc dust (8.0 g, 0.12 mM) was added by portions, ensuring that reaction temperature remained below 70 C. Following the addition, the reaction was maintained at 65 C. for 30 minutes. To this mixture was added 10% NaOH (40 ml, 0.1M) and additional zinc dust (10.5 g, 0.16M). The resulting mixture was stirred at 65 C. for 3 hours and then cooled to room temperature. Ether (100 ml) was then added, the mixture stirred, and the ether decanted. This procedure was repeated twice. The ether fractions were combined and dried over MgSO4, filtered, and the solvent was concentrated under reduced pressure. This afforded the titled compound as a solid in quantitative yield and was used in the next step without further purification. MS(CI): 313 (m+1). |
Tags: 3970-39-6 synthesis path| 3970-39-6 SDS| 3970-39-6 COA| 3970-39-6 purity| 3970-39-6 application| 3970-39-6 NMR| 3970-39-6 COA| 3970-39-6 structure
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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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