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CAS No. : | 279263-10-4 |
Formula : | C8H10BFO3 |
M.W : | 183.97 |
SMILES Code : | CCOC1=C(F)C=C(C=C1)B(O)O |
MDL No. : | MFCD04115667 |
InChI Key : | ZONJMULNQBNBGU-UHFFFAOYSA-N |
Pubchem ID : | 2782821 |
GHS Pictogram: | ![]() |
Signal Word: | Warning |
Hazard Statements: | H315-H319 |
Precautionary Statements: | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Num. heavy atoms | 13 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.25 |
Num. rotatable bonds | 3 |
Num. H-bond acceptors | 4.0 |
Num. H-bond donors | 2.0 |
Molar Refractivity | 47.52 |
TPSA ? Topological Polar Surface Area: Calculated from | 49.69 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from | 0.0 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by | 1.26 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from | 0.32 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from | 0.76 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by | 0.01 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions | 0.47 |
Log S (ESOL):? ESOL: Topological method implemented from | -1.92 |
Solubility | 2.22 mg/ml ; 0.0121 mol/l |
Class? Solubility class: Log S scale | Very soluble |
Log S (Ali)? Ali: Topological method implemented from | -1.9 |
Solubility | 2.3 mg/ml ; 0.0125 mol/l |
Class? Solubility class: Log S scale | Very soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by | -2.1 |
Solubility | 1.46 mg/ml ; 0.00794 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 | -6.53 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 | 1.0 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) | 1.94 |
* 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 |
---|---|---|
First step 100 ml of a THF solution of 22.8 g (104 mmol) of 3-fluoro-4-ethoxybromobenzene was dropped, while stirring, at 40 to 60C to 3.03 g (124.8 mmol) of dried turnings magnesium, and refluxed under heating after dropping for one hour. The solution was cooled by a coolant to -70C and, a THF solution of 16 ml (132.5 mmol) of trimethyl borate (THF: 70 ml) was dropped under stirring. After stirring at -70C for 3 hours, and further stirring at a room temperature for 20 hours, the reaction solution was cooled to 5C, and 50 ml of 6M hydrochloric acid was added. After separating the organic layer, the aqueous layer was extracted with 100 ml of ethyl acetate. After mixing the organic layer, it was washed with water and then with an aqueous saturated sodium chloride solution successively and, after drying over anhydrous magnesium sulfate, concentrated under a reduced pressure, to obtain 22.3 g of crude 3-fluoro-4-ethoxyphenyl boronic acid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dihydrogen peroxide; In tetrahydrofuran; water; at 20 - 35℃; for 24h; | 22.3 g of the crude <strong>[279263-10-4]3-fluoro-4-ethoxyphenyl boronic acid</strong> obtained in the first step was dissolved in 200 ml of tetrahydrofuran, and 23.6 g (208 mmol) of aqueous 30% hydrogen peroxide was added while being kept at about 35C in a warm bath. After addition and after stirring the reaction solution at a room temperature for 24 hours, the reaction solution was poured into 300 ml of water, then sodium hydrogen sulfite was added and stirred at a room temperature for one hour. The reaction solution was extracted with 300 ml of ethyl acetate and the extracted layer was washed with water and then with an aqueous saturated sodium chloride solution successively and, after dying over anhydrous magnesium sulfate, concentrated under a reduced pressure. The concentrated residue was purified by silica gel column chromatography using a ethyl acetate/heptane mixed solvent as an eluent to obtain 17.6 g (113 mmol) of 3-fluoro-4-ethoxyphehol. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,2-dimethoxyethane; water; for 16h;Heating / reflux; | A mixture of 4-ethoxy-3 -fluorophenyl boronic acid (Combiblocks, 800 mg, 1.3 eq), Intermediate 2 (Ig) and tetrakis(triphenylphosphine) palladium (0) (5 %, 193 mg) was heated in DME / 2N sodium carbonate (aq, 2:1, 27 ml) at reflux for 16h. The mixture was filtered, the filtrate concentrated, the residue washed with sat sodium bicarbonate, water and ether and dried to give the product (410mg).1H NMR delta 7.71 (IH, d, J = 2.0Hz), 7.67 (IH, s), 7.60 (IH, dd, J = 8.5 2.25Hz), 7.31 (IH, m), 7.25 (IH, m), 7.02 (2H, m), 4.17 (2H, q, 7.0Hz), 3.14 (3H, s), 3.12 (3H, s), 1.5 (3H, t, 7.0Hz); LC-MS rt 2.51 m/z 312 ES+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87% | Under nitrogen atmosphere,Magnesium (5.76 g) was placed in a reactor, and a solution of compound (T-2) (40.0 g) in tetrahydrofuran (THF) (250 mL) was slowly added to the reactorStir at room temperature for 2 hours. Then a solution of trimethyl borate (28.6 ml, 255.7 mmol) in THF (150 ml) is added,Stir for 12 hours. Then cool to 0 C,1N hydrochloric acid (548 ml) was added and stirred for 2 hours.The reaction mixture was poured into water and the aqueous layer was extracted with ethyl acetate.After washing the combined organic layer with brine,The extract was dried over anhydrous magnesium sulfate and concentrated under reduced pressure.The residue is purified by recrystallization from heptane,Compound (T-3)(29.3 g; 87%) were obtained. | |
65% | The compound (T-26) (43.8 g) was dissolved in DryTHF (400 ml), and the resultant solution was cooled to -70C. In a nitrogen atmosphere, n-BuLi (133 ml) was added dropwise, and agitation was carried out at -70C for 2 hours. Then, a DryTHF solution of trimethyl borate (64.8 g) was slowly added dropwise at -70C, and the resultant solution was heated to room temperature and agitated for 16 hours. After completion of the reaction, 2N-HCl (200 ml) was added, and then extraction was carried out with toluene, an organic layer was washed with water and a saturated aqueous solution of sodium chloride, and then the resultant solution was dried over anhydrous magnesium sulfate and concentrated under reduced pressure, and thus a light brown solid was obtained. The resultant material was subjected to recrystallization (heptane:toluene = 4:1 in a volume ratio), (T-27) was obtained as a colorless crystal (23.9 g, yield: 65%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
0.95 g | With tris-(dibenzylideneacetone)dipalladium(0); copper(I) thiophene-2-carboxylate; In tetrahydrofuran; at 50℃; for 18h;Inert atmosphere; | Intermediate 134: 4-(4-Ethoxy-3-fluoro-benzoyl)-piperidine-1-carboxylic acid tert-butyl esterTo a mixture of <strong>[279263-10-4]4-ethoxy-3-fluorophenylboronic acid</strong> (0.86 g, 4.67 mmol), ligand TFP (0.144 g, 0.62 mmol), Pd2dba3 (0.29 g, 0.31 mmol), copper (I) thiophene-2-carboxylate (0.89 g, 4.7 mmol) was added a solution of 4-phenylsulfanylcarbonyl-piperidine-1 - carboxylic acid tert-butyl ester (1.0 g, 3.1 1 mmol) in 10 mL of THF while purging with N2 at 50C. After 18 hours the reaction mixture was diluted with ethyl acetate, filtered through celite then concentrated in vacuo. Purification by flash chromatography gave the title compound (0.95 g, 2.57 mmol). MS (ESI) m/z 352.0 (M + H+); HPLC (Novapak 150 X 3.9 mm C-18 column: mobile phase: 35-90% acetonitrile/water with 0.1 % TFA, at 2 mL/min over 2 min.) 1 1.42 min. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; caesium carbonate; In 1,4-dioxane; water; at 100℃; for 3h;Inert atmosphere; Sealed tube; | Example 40b(4S)-6-(4-ethoxy-3-fluorophenyl)-4-(1 H-imidazol-4-ylmethyl)-7-[3-(trifluoromethoxy)phenyl]-3,4-di hydropa]pyrazin-1 (2H)-one[(I), R2 = 3-(trifluoromethoxy)phenyl, R3 = 4-ethoxy-3-fluorophenyl, R4 = H, A = CH 2 -1 H-imidazol-4-yl] (cpd 132) <strong>[279263-10-4](4-ethoxy-3-fluorophenyl)boronic acid</strong> (0.072 g, 0.39 mmol), cesium carbonate (0.096 g, 0.3 mmol) and 1 ,1 '- bis(diphenylphosphino)ferrocenepalladium (0.008 g, 0.010 mmol) complex with dichloromethane, were subsequently added to a degassed solution of 4-({(4S)-6-iodo-1-oxo-7-[3-(trifluoromethoxy)phenyl]-1 ,2,3,4-tetrahydropyrrolo[1 ,2- a]pyrazin-4-yl}methyl)-N,N-dimethyl-1 H-imidazole-1-sulfonamide (0.06 g, 0.1 mmol) in 3 ml of 1 ,4-dioxane and 1 ml of water, under argon. The mixture was heated at 100 for 3 hours in a sealed vial. The reaction was portioned between ethyl acetate and water, the organic layer dried over sodium sulphate and the solvent removed in vacuo. 4- ({(4S)-6-(4-ethoxy-3-fluorophenyl)-1-oxo-7-[3-(trifluorometh oxy)phenyl]-1 ,2,3,4-tetrahydropyrrolo[1 ,2-a]pyrazin-4- yl}methyl)-N,N-dimethyl-1 H-imidazole-1 -sulfonamide was submitted to the next step without purification. The crude was dissolved in a mixture 1 :1 of water (2ml) and 4N HCI in dioxane (2 ml) and heated at 75C until deprotection was completed. After evaporation under vacuo, purification by RP-HPLC afforded the title compound as a white solid. 1 H NMR (600 MHz, DMSO-d6) delta 11.77 (br. s., 1 H), 7.71 (d, J = 5.13 Hz, 1 H), 7.44 (s, 1 H), 7.34 - 7.41 (m, 1 H), 7.19 - 7.30 (m, 3H), 7.08 (d, J = 7.88 Hz, 2H), 7.06 (s, 1 H), 6.94 (s, 1 H), 6.63 (s, 1 H), 4.33 - 4.46 (m, 1 H), 4.16 (dq, J = 0.73, 6.84 Hz, 2H), 3.72 (dd, J = 3.75, 12.73 Hz, 1 H), 3.33 - 3.37 (m, 1 H), 2.79 - 2.87 (m, 1 H), 1.38 (t, J = 6.96 Hz, 3H). LCMS (HPLC Method 2): m/z 515 [M+H] + (at) r.t. 5.03 minHRMS (ESI) calcd for C26H23F4N4O3 [M + H ] + 515.1701 found 515.1701 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With caesium carbonate; In 1,4-dioxane; hydrogenchloride; water;liquid HCl; | Example 40b (4S)-6-(4-ethoxy-3-fluorophenyl)-4-(1H-imidazol-4-ylmethyl)-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one [(I), R2=3-(trifluoromethoxy)phenyl, R3=4-ethoxy-3-fluorophenyl, R4=H, A=CH2-1H-imidazol-4-yl](cpd 132) <strong>[279263-10-4](4-ethoxy-3-fluorophenyl)boronic acid</strong> (0.072 g, 0.39 mmol), cesium carbonate (0.096 g, 0.3 mmol) and 1,1'-bis(diphenylphosphino)ferrocenepalladium (0.008 g, 0.010 mmol) complex with dichloromethane, were subsequently added to a degassed solution of 4-({(4S)-6-iodo-1-oxo-7-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl}methyl)-N,N-dimethyl-1H-imidazole-1-sulfonamide (0.06 g, 0.1 mmol) in 3 ml of 1,4-dioxane and 1 ml of water, under argon. The mixture was heated at 100 for 3 hours in a sealed vial. The reaction was portioned between ethyl acetate and water, the organic layer dried over sodium sulphate and the solvent removed in vacuo. 4-({(4S)-6-(4-ethoxy-3-fluorophenyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl}methyl)-N,N-dimethyl-1H-imidazole-1-sulfonamide was submitted to the next step without purification. The crude was dissolved in a mixture 1:1 of water (2 ml) and 4N HCl in dioxane (2 ml) and heated at 75 C. until deprotection was completed. After evaporation under vacuo, purification by RP-HPLC afforded the title compound as a white solid. 1H NMR (600 MHz, DMSO-d6) delta 11.77 (br. s., 1H), 7.71 (d, J=5.13 Hz, 1H), 7.44 (s, 1H), 7.34-7.41 (m, 1H), 7.19-7.30 (m, 3H), 7.08 (d, J=7.88 Hz, 2H), 7.06 (s, 1H), 6.94 (s, 1H), 6.63 (s, 1H), 4.33-4.46 (m, 1H), 4.16 (dq, J=0.73, 6.84 Hz, 2H), 3.72 (dd, J=3.75, 12.73 Hz, 1H), 3.33-3.37 (m, 1H), 2.79-2.87 (m, 1H), 1.38 (t, J=6.96 Hz, 3H). LCMS (HPLC Method 2): m/z 515 [M+H]+r.t. 5.03 min HRMS (ESI) calcd for C26H23F4N4O3[M+H]+ 515.1701 found 515.1701 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,4-dioxane; water;Inert atmosphere; Reflux; | General procedure: To 0.329 g (1.5 mmol) 4-iodoaniline, 1.8 mmol ArB(OH)2, 0.318 g (3 mmol) Na2CO3 and 75 mg (0.075 mmol) PdCl2(PPh3)2, 15 mL of a blended solution of dioxane and water (v/v = 3/1) was added under N2 atmosphere. Then the reaction was heated to reflux and monitored by TLC. Upon cooling, the reaction mixture was dilute with sat. NH4Cl solution, then extracted with EA (3×20 mL), and the organic layer was washed with saturated NaCl aqueous solution, dried over anhydrous Na2SO4 and purified by flash chromatography to afford different 4-aminobiphenyl derivatives. According to the reductive amination procedure, the 4-aminobiphenyl derivative was further treated with salicylaldehyde and to afford the corresponding compound 5&6. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With bis-triphenylphosphine-palladium(II) chloride; potassium hydrogencarbonate; In water; N,N-dimethyl-formamide; at 110℃; for 8h;Inert atmosphere; | General procedure: To a stirred solution of the proper 5-iodopyridine 4 (0.25 mmol) and boronic acid 5 (0.35 mmol) in 4:1 DMF/H2O (5 mL) under argon was added KHCO3 (0.35 mmol) and PdCl2(PPh3)2 (0.0125 mmol). Then the resulting reaction mixture was heated at 110C for approximately 8h. The reaction was followed by frequent TLC analysis for the completion of the reaction. When the reaction was over, the mixture was quenched with saturated aqueous NaCl solution (30 mL), and extracted with ethyl acetate (2×30 mL). The combined organic layers were dried over MgSO4 and evaporated on a rotary evaporator. The resulting crude product was purified by flash chromatography on silica gel using hexane/ethyl acetate (9:1 followed by 4:1) as the eluent to afford the corresponding 5-arylpyridine 6. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98% | With bis-triphenylphosphine-palladium(II) chloride; potassium hydrogencarbonate; In water; N,N-dimethyl-formamide; at 110℃; for 8h;Inert atmosphere; | General procedure: To a stirred solution of the proper 5-iodopyridine 4 (0.25 mmol) and boronic acid 5 (0.35 mmol) in 4:1 DMF/H2O (5 mL) under argon was added KHCO3 (0.35 mmol) and PdCl2(PPh3)2 (0.0125 mmol). Then the resulting reaction mixture was heated at 110C for approximately 8h. The reaction was followed by frequent TLC analysis for the completion of the reaction. When the reaction was over, the mixture was quenched with saturated aqueous NaCl solution (30 mL), and extracted with ethyl acetate (2×30 mL). The combined organic layers were dried over MgSO4 and evaporated on a rotary evaporator. The resulting crude product was purified by flash chromatography on silica gel using hexane/ethyl acetate (9:1 followed by 4:1) as the eluent to afford the corresponding 5-arylpyridine 6. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | With tetrakis(triphenylphosphine) palladium(0); tetrabutylammomium bromide; potassium carbonate; In water; toluene; for 3h;Inert atmosphere; Reflux; | Compound (T-3) (28.0 g) under a nitrogen atmosphere,Compound (T-4) (41.0 g),Tetrakis (triphenylphosphine) palladium (1.40 g), potassium carbonate (60.1 g),Tetrabutylammonium bromide (TBAB) (14.0 g), toluene (140 ml),Place Solmix A-11 (140 ml) and water (140 ml) in the reactor,It heated and refluxed for 3 hours. Pour the reaction mixture into water,The aqueous layer was extracted with toluene. Wash the combined organic layer with water,It was dried over anhydrous magnesium sulfate.The solution is concentrated under reduced pressure, and the residue is purified by silica gel chromatography (volume ratio, toluene: heptane = 1: 8).Compound (T-5)(34.7 g; 81%) were obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; caesium carbonate; In 1,4-dioxane; water; for 15h;Inert atmosphere; Reflux; | General procedure: To a mixture of 15a (50 mg, 0.15 mmol), (4-methoxyphenyl)boronic acid (27 mg, 0.18 mmol), Cs2CO3 (96 mg, 0.3 mmol) andPdCl2(dppf)2CH2Cl2 (12 mg, 0.015 mmol), 15 mL of a blended solutionof dioxane and water (v/v 3/1) was added under N2 atmosphere.Then the reaction was heated to reflux and monitoredby TLC. Upon cooling, the reaction mixture was diluted with saturatedNH4Cl solution, then extracted with EA (3 20 mL), and theorganic layer was washed with brine, dried over anhydrous Na2SO4and purified by column chromatography on silica gel (eluted withCH2Cl2/MeOH 20:1, v/v) to afford 17a as white powder (44 mg,72% yield). |
Tags: 279263-10-4 synthesis path| 279263-10-4 SDS| 279263-10-4 COA| 279263-10-4 purity| 279263-10-4 application| 279263-10-4 NMR| 279263-10-4 COA| 279263-10-4 structure
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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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