Structure of 23077-43-2
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CAS No. : | 23077-43-2 |
Formula : | C9H6FNO2 |
M.W : | 179.15 |
SMILES Code : | O=C(C1=CNC2=C1C=C(F)C=C2)O |
MDL No. : | MFCD00047171 |
InChI Key : | SDZBAXLIHRBNOV-UHFFFAOYSA-N |
Pubchem ID : | 17750930 |
GHS Pictogram: | ![]() |
Signal Word: | Warning |
Hazard Statements: | H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Num. heavy atoms | 13 |
Num. arom. heavy atoms | 9 |
Fraction Csp3 | 0.0 |
Num. rotatable bonds | 1 |
Num. H-bond acceptors | 3.0 |
Num. H-bond donors | 2.0 |
Molar Refractivity | 45.22 |
TPSA ? Topological Polar Surface Area: Calculated from | 53.09 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from | 1.11 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by | 2.09 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from | 2.43 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from | 1.5 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by | 2.29 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions | 1.88 |
Log S (ESOL):? ESOL: Topological method implemented from | -2.71 |
Solubility | 0.346 mg/ml ; 0.00193 mol/l |
Class? Solubility class: Log S scale | Soluble |
Log S (Ali)? Ali: Topological method implemented from | -2.83 |
Solubility | 0.262 mg/ml ; 0.00146 mol/l |
Class? Solubility class: Log S scale | Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by | -2.94 |
Solubility | 0.208 mg/ml ; 0.00116 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 | -5.91 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 | 0.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from | No; 1 violation:MW<1.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) | 1.41 |
* 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 |
---|---|---|
75% | Reference Example 27; 5-Fluoro-4-(4,4,5,5-tetramethyl-[l,3,2]dioxaborolan-2-yI)-lJ?-indole; A solution of 5-fluoroindole (5 g, 37.0 mmol) in DMF (40 mL) was treated at 0 0C with trifluoroacetic anhydride (6.1 mL, 42.6 mmol). After 30 min, the reaction was poured into water and the resulting precipitate collected by filtration, washed with water, then dried in vacuo. The solid was then dissolved in 10% aqueous NaOH (200 mL) and heated at reflux for 1 h. The reaction mixtur was then cooled, washed with dichloromethane and acidified with aqueous HCl. The resulting white precipitate was collected by filtration, washed with water, taken up in dichloromethane, washed with water, dried (MgSO4) and evaporated in vacuo. The resulting material (5 g, 75%) was dissolved in methanol (80 mL) and treated with concentrated sulphuric acid (2 mL) <n="75"/>then heated at reflux overnight. The reaction was cooled and the resulting precipitate collected, washed with water and evaporated in vacuo to give 5-fluoro-lH-indole-3- carboxylic acid methyl ester as a peach-coloured solid (4.5 g, 83 %). | |
68% | In N,N-dimethyl-formamide; at 0 - 20℃;Inert atmosphere; | [00194] This compound was prepared according to the procedure described in the Journal of Medicinal Chemistry 2014, 57(17), 7293 - 7316. Trifluoroacetic anhydride (38 mL, 56.0 g, 0.27 mol) was added dropwise to a solution of 5-fluoro-lH-indole (30.0 g, 0.22 mol) in DMF (300 mL) over 0.5 h at 0C. The reaction mixture was allowed to warm to room temperature and stirred overnight. The mixture was quenched with water (1 L), after which solids began to form, the mixture was stirred for 0.5 h, then filtered. The solid was collected, washed with water (200 mL><3), then added to aqueous sodium hydroxide (20%, 150 mL, 0.75 mol) and heated under reflux for 8 h. The reaction mixture was cooled and acidified with aqueous 3N HC1 to pH of 3 whereupon a precipitate was produced. The solid was collected by filtration, washed with water (200 mLx3), dried to afford compound 2 (27.1 g, 68% yield) as off-white solid |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
83% | sulfuric acid;Heating / reflux; | Reference Example 27; 5-Fluoro-4-(4,4,5,5-tetramethyl-[l,3,2]dioxaborolan-2-yI)-lJ?-indole; A solution of 5-fluoroindole (5 g, 37.0 mmol) in DMF (40 mL) was treated at 0 0C with trifluoroacetic anhydride (6.1 mL, 42.6 mmol). After 30 min, the reaction was poured into water and the resulting precipitate collected by filtration, washed with water, then dried in vacuo. The solid was then dissolved in 10% aqueous NaOH (200 mL) and heated at reflux for 1 h. The reaction mixtur was then cooled, washed with dichloromethane and acidified with aqueous HCl. The resulting white precipitate was collected by filtration, washed with water, taken up in dichloromethane, washed with water, dried (MgSO4) and evaporated in vacuo. The resulting material (5 g, 75%) was dissolved in methanol (80 mL) and treated with concentrated sulphuric acid (2 mL) <n="75"/>then heated at reflux overnight. The reaction was cooled and the resulting precipitate collected, washed with water and evaporated in vacuo to give 5-fluoro-lH-indole-3- carboxylic acid methyl ester as a peach-coloured solid (4.5 g, 83 %). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | With lithium tert-butoxide; In N,N-dimethyl-formamide; at 100℃; under 760.051 Torr; for 24h; | General procedure: In a dried two-necked test tube was charged with LiOtBu (160 mg, 2.00 mmol) and indole 1a (23.4 mg, 0.4 mmol). The reaction vessel was evacuated under high vacuum and the atmosphere was replace with a balloon of CO2. Then DMF (2 mL) was added and the mixture was stirred for 24 h at 100C. Then the result mixture was cooled and carefully quenched with a solution of HCl (2 N) and extracted with EtOAc (5x). The combined organic layers were washed with water (2x), brine (1x) and dry over MgSO4. The dried organics were concentrated under reduce pressure and the residue was purified by preparative TLC (hexane:acetone = 1:1) to afford the desired product 2a (153.0 mg, 95%) as a white solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
50% | With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20℃; | To a stirred solution of indolic amine (gb) (72 mg, 0.3 mmol) and <strong>[23077-43-2]5-fluoro-1H-indole-3-carboxylic acid</strong> (2f) (59 mg, 0.33 mmol) in 5 mL of dry CH2Cl2, 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDCI, 5 mg, 0.33 mmol) was added at room temperature. The resulting mixture was stirred overnight. Then CH2Cl2 was evaporated then EtOAc (20 mL) and a 1M aqueous solution of hydrochloric acid (20 mL) were added. After extraction, organic phase was washed with an aqueous solution of hydrochloric acid, a 5% aqueous solution of Na2CO3, brine, dried over anhydrous MgSO4, filtered, and concentrated under vacuum. Purification of the crude product by column chromatography using EtOAc-pentane (from 1/9 to 8/2) yielded the pure bis-indole 5 (60 mg, 0.226 mmol) as a beige foam. Yield: 50%. IR (neat): 3455, 3240, 2975, 2870, 1740, 1595, 1530, 1460, 1425, 1205, 1170, 1080, 1005, 930, 850, 760 cm-1. 1H NMR (300 MHz, CD3OD-DMSO-d6): delta = 1.60 (d, J= 6.8 Hz, 3H), 5.49 (q, J= 6.8 Hz, 1H), 6.99 (dt, J = 2.6 and 9.0 Hz, 1H), 7.09 (dd, J = 1.9 and 8.7 Hz, 1H), 7.19-7.23 (m, 2H), 7.44 (dd, J = 4.4 and 9.0 Hz, 1H), 7.65 (dd, J= 2.6 and 9.6 Hz, 1H), 7.74 (d, J = 7.7 Hz, 3H), 8.18 (s, 1H) ppm. 13C NMR (75.5 MHz, CD3OD-DMSO-d6): delta = 21.3, 4.3, 106.9 (d, J = 25.1 Hz), 111.9 (d, J = 26.6 Hz), 112.3, 112.8, 114.0 (d, J = 9.8 Hz), 121.2, 121.4, 121.5, 124.6, 126.2, 127.5, 134.7, 134.9, 135.1, 160.0 (d, J= 235.1 Hz), 168.8, 175.5 ppm. LRMS (ESI): m/z = 422 and 424 [(M+Na)+]. |
50% | With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; at 20℃; | To a stirred solution of indolic amine (gb) (72 mg, 0.3 mmol) and 5-fluoro-lH-indole-3- carboxylic acid (2f) (59 mg, 0.33 mmol) in 5 mL of dry CH2CI2, l-ethyl-3-(3- dimethylaminopropyl)carbodiimide (EDCI, 5 mg, 0.33 mmol) was added at room temperature. The resulting mixture was stirred overnight. Then CH2CI2 was evaporated then EtOAc (20 mL) and a 1M aqueous solution of hydrochloric acid (20 mL) were added. After extraction, organic phase was washed with an aqueous solution of hydrochloric acid, a 5% aqueous solution of Na2C03, brine, dried over anhydrous MgSC>4, filtered, and concentrated under vacuum. Purification of the crude product by column chromatography using EtOAc-pentane (from 1/9 to 8/2) yielded the pure bis-indole 5 (60 mg, 0.226 mmol) as a beige foam. Yield: 50%.IR (neat): 3455, 3240, 2975, 2870, 1740, 1595, 1530, 1460, 1425, 1205, 1170, 1080, 1005, 930, 850, 760 cm"1. 1H NMR (300 MHz, CD3OD-DMSO-d6): delta = 1.60 (d, J= 6.8 Hz, 3H), 5.49 (q, J = 6.8 Hz, 1H), 6.99 (dt, J= 2.6 and 9.0 Hz, 1H), 7.09 (dd, J = 1.9 and 8.7 Hz, 1H), 7.19-7.23 (m, 2H), 7.44 (dd, J= 4.4 and 9.0 Hz, 1H), 7.65 (dd, J= 2.6 and 9.6 Hz, 1H), 7.74 (d, J= 7.7 Hz, 3H), 8.18 (s, 1H) ppm. 13C NMR (75.5 MHz, CD3OD-DMSO-d6): delta = 21.3, 4.3, 106.9 (d, J = 25.1 Hz), 1 11.9 (d, J = 26.6 Hz), 112.3, 112.8, 114.0 (d, J = 9.8 Hz), 121.2, 121.4, 121.5, 124.6, 126.2, 127.5, 134.7, 134.9, 135.1, 160.0 (d, J = 235.1 Hz), 168.8, 175.5 ppm. LRMS (ESI): m/z = 422 and 424 [(M+Na)+]. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
84% | 1-(5-Fluoro-1H-indol-3-yl)-2,2,2-trifluoroethanone (hf) (693 mg, 3.0 mmol) was suspended in 10 mL of a 4M aqueous solution of sodium hydroxide. The resulting mixture was stirred at reflux during 1 hour. The solution was extracted with diethyl ether (2x25 mL) and then aqueous the phase was acidified with an aqueous solution of 5M HCl to pH 1. The precipitate was filtered off, washed with water and dried in the presence of P2O5 under reduced pressure. Pure 5-fluoroindolic acid (2e) (451 mg, 2.52 mmol) was obtained as a beige solid. Yield: 84%. 1H NMR (300 MHz, CD3OD): delta = 6.96 (td, J = 2.6 and 9.3 Hz, 1H), 7.40 (dd, J = 4.4 and 8.9 Hz, 1H), 7.71 (dd, J = 2.6 and 9.9 Hz, 1H), 7.98 (s, 1H), 11.41 (br s, 1H, NH) ppm. 13C NMR (75.5 MHz, CD3OD): delta = 106.9 (d, J = 25.1Hz, (CH)), 111.9 (d, J = 26.6 Hz, CH)), 114.0 (d, J = 9.8 Hz, (CH), 126.2 (C), 134.7 (C), 134.9 (CH), 160.0 (d, J = 235.1Hz, C), 168.8 (C), 175.5 (CO) ppm. | |
84% | Its synthesis from 1-(5-fluoro-1H-indol-3-yl)-2,2,2-trifluoroethanone (hf) was described in the following patent: T. C. Hancox et al., PCT Int. AppL, 2009053715, 30 Apr 2009. l-(5-Fluoro-lH-indol-3-yl)-2,2,2-trifluoroethanone (hf) (693 mg, 3.0 mmol) was suspended in 10 mL of a 4M aqueous solution of sodium hydroxide. The resulting mixture was stirred at reflux during 1 hour. The solution was extracted with diethyl ether (2x25 mL) and then aqueous the phase was acidified with an aqueous solution of 5M HCl to pH 1. The precipitate was filtered off, washed with water and dried in the presence of P2O5 under reduced pressure. Pure 5- fluoroindolic acid (2e) (451 mg, 2.52 mmol) was obtained as a beige solid. Yield: 84%.1H NMR (300 MHz, CD3OD): delta = 6.96 (td, J= 2.6 and 9.3 Hz, 1H), 7.40 (dd, J= 4.4 and 8.9 Hz, 1H), 7.71 (dd, J = 2.6 and 9.9 Hz, 1H), 7.98 (s, 1H), 11.41 (br s, 1H, NH) ppm. 13C NMR (75.5 MHz, CD3OD): delta = 106.9 (d, J = 25.1 Hz, (CH)), 111.9 (d, J = 26.6 Hz, CH)), 114.0 (d, J = 9.8 Hz, (CH), 126.2 (C), 134.7 (C), 134.9 (CH), 160.0 (d, J = 235.1 Hz, C), 168.8 (C), 175.5 (CO) ppm. | |
785 mg | With sodium hydroxide; In water; for 1.5h;Reflux; | 2,2,2 trifluoro-1-[5-fluoro-l- (pyrimidin-2-yl)-1H-indol-3-yl] ethan-1-one(1.6 g)Was added 5 N sodium hydroxide aqueous solution (20 mL)And the mixture was stirred under heating reflux for 1.5 hours.After cooling the reaction solution to room temperature, water and ethyl acetate were added,And extracted with ethyl acetate. The obtained aqueous layer was made acidic with concentrated hydrochloric acid,The mixture was extracted with ethyl acetate and washed with saturated brine. The organic layer was dried over sodium sulfate and the solvent was distilled off under reduced pressure to give 5-fluoro-lH-indole-3-carboxylic acid785 mg (yield 88%) was obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
97% | With sodium hydride; | General procedure: To a suspension of NaH (1 .1 - 2.0 eq.) in DMF or THF (0.35 - 0.44 M) at 0C was added a solution of the indole (1 .0 eq.) in DMF or THF followed by the halo-alkane (1 .3-20 eq.). The reaction mixture was stirred for several minutes at 0C before warming to room temperature (or heating to 50C or reflux, to facilitate the reaction if required). Upon completion the reaction was quenched by addition of NH4CI and the product extracted into EtOAc (3x) or partitioned between EtOAc and HCI (1 M), shaken, separated and extracted with EtOAc (2x), then washed with NH4CI. The combined extracts were washed with brine, dried over MgSO4 and concentrated in vacuo. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89.3% | General procedure: 60% NaH (0.91 g, 22.8 mmol) was added in portions to a solution of 1b-h (11.2 mmol) in dry DMF (35 mL) at 0-5 C. After addition, the mixture was stirred for 30 min. Iodomethane (33.6 mmol) was then added at 0-5 C and stirred for 2 h at room temperature. The mixture was then poured into H2O (120 mL) and the resulting solution was extracted with ethyl acetate (50 mL × 3). The organic phase was combined and washed with brine (150 mL × 3), dried over anhydrous Na2SO4 and concentrated under reduced pressure. The obtained residue was purified by flash column chromatography on silica gel to afford 2b-h. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20℃; for 18h; | 5-fluoro-1 H-indole-3-carboxylic acid (450 mg),tert-butyl piperazine-1-carboxylate (466 mg),EDC (630 mg),HOBt (446 mg) and triethylamine (0.46 mL)Was dissolved in dichloromethane (25 mL)And the mixture was stirred at room temperature for 18 hours. Water was added to the reaction solution,It was extracted with dichloromethane and washed with saturated brine.The organic layer was dried over sodium sulfate,By distilling off the solvent under reduced pressure,tert-butyl 4- (5-fluoro-1 H-indole-3-carbonyl)Piperazine-1-carboxylate as a crude product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | With lithium carbonate; Selectfluor; In dichloromethane; water; for 2h;Cooling with ice; | To a 50 mL round-bottle flask with a magnetic stirring bar were added Selectfluor (872 mg, 2.0 mmol, 2.0 equiv), Li2CO3 (296 mg, 4.0 mmol, 4.0 equiv), dichloromethane (3.3 mL) and water (1.7 mL). Then carboxylic acid (1.0 mmol, 1.0 equiv) was added. The reaction mixture was stirred for 2 hours in ice bath. The reaction mixture was diluted with water (40 mL), followed by extracting with DCM (20 mL×2). The combined organic extracts were washed with brine, dried over anhydrous sodium sulfate and concentrated in vacuo. The crude product was purified by flash column chromatography (n-hexane:DCM = 2:1) to afford 3,5-difluoro-1H-indole as deep brown oil. Yield = 68%;MS (ESI) m/z 154.83[M + H] +; 152.03 [M - H] -;1H NMR (CDCl3, 400 MHz) d 7.86 (bs, 1H, NH), 7.25 (dd, J = 9.2, 2.4 Hz, 1H), 7.20- 7.16 (m, 1H), 6.97 (t, J = 2.6 Hz, 1H), 6.93 (dd, J = 9.2, 2.4 Hz, 1H);19F NMR (CDCl3) d -123.99 (d, JF-F = 2.8 Hz), -174.74 (d, JF-F = 4.0 Hz). |
Tags: 23077-43-2 synthesis path| 23077-43-2 SDS| 23077-43-2 COA| 23077-43-2 purity| 23077-43-2 application| 23077-43-2 NMR| 23077-43-2 COA| 23077-43-2 structure
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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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