Structure of 20277-69-4
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CAS No. : | 20277-69-4 |
Formula : | CH3NaO2S |
M.W : | 102.09 |
SMILES Code : | CS([O-])=O.[Na+] |
MDL No. : | MFCD00040392 |
InChI Key : | LYPGDCWPTHTUDO-UHFFFAOYSA-M |
Pubchem ID : | 2733271 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H302 |
Precautionary Statements: | P264-P270-P301+P312-P330-P501 |
Num. heavy atoms | 5 |
Num. arom. heavy atoms | 0 |
Fraction Csp3 | 1.0 |
Num. rotatable bonds | 0 |
Num. H-bond acceptors | 2.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 14.92 |
TPSA ? Topological Polar Surface Area: Calculated from |
59.34 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
-5.4 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
-0.54 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
0.36 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
-1.13 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
-0.6 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
-1.46 |
Log S (ESOL):? ESOL: Topological method implemented from |
-0.13 |
Solubility | 75.2 mg/ml ; 0.737 mol/l |
Class? Solubility class: Log S scale |
Very soluble |
Log S (Ali)? Ali: Topological method implemented from |
-0.24 |
Solubility | 59.2 mg/ml ; 0.579 mol/l |
Class? Solubility class: Log S scale |
Very soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
0.41 |
Solubility | 262.0 mg/ml ; 2.56 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) |
Yes |
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) |
Yes |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-7.31 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 |
2.0 |
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) |
3.07 |
* 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 |
---|---|---|
50% | at 150℃; for 4 h; | Intermediate 4: 6-Methanesulfonyl-2-methyl-pyridin-3-ylamine; A mixture of 3-amino-6-bromo-2-methylpyridine (ECA International Corporation, Palatine, Ill., USA; 2.0 g, 10.7 mmol), sodium methanesulfinate (Aldrich Chemical Company, Inc., Milwaukee, Wis., USA 5.13 g, 42.8 mmol), copper trifluoromethanesulfonate benzene complex (598 mg, 1.07 mmol), and N,N'-dimethylethylenediamine (115 μL, 1.07 mmol) in dimethylsulfoxide (15 mL) was heated at 150° C. for 4 h. The mixture was cooled and water and ethyl acetate were added. The aqueous layer was extracted three times with ethyl acetate. The combined organic layers were washed twice with water, and then concentrated to approximately 5 mL. This gave a precipitate which was filtered off, washed with a small amount of ethyl acetate and air dried to give 6-Methanesulfonyl-2-methyl-pyridin-3-ylamine (1 g, 50percent) as a brown powder. 1H NMR (300 MHz, DMSO-d6) δ 2.30 (s, 3H), 3.05 (s, 3H), 6.04 (br s, 2H), 6.98 (d, 1H, J=8.4 Hz), 7.55 (d, 1H, J=8.2 Hz). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
69% | With copper(l) iodide; sodium L-prolinate; In dimethyl sulfoxide; at 95℃; for 20h; | To a solution of <strong>[172023-97-1](3-bromo-5-trifluoromethyl-phenyl)-methanol</strong> (2 mmol, 613 mg), L- proline sodium salt (0.4 mmol, 55 mg), copper iodide (0.2 mmol, 38 mg) in DMSO (4 mL) is added sodium methanesulfinate (2.4 mmol, 245 mg) under nitrogen. The solution is allowed to warm to 95 0C and stirred for 20 hours. The mixture is cooled to room temperature, then added water. The mixture is extracted with dichloromethane. The combined organic layer is washed with brine, dried over Na2SO4, filtrated, and concentrated under reduced pressure. The residue is purified by silica gel column chromatography (eluent: hexane / EtOAc) to give (3-methanesulfonyl-5-trifluoromethyl-phenyl)-methanol (418 mg, 69%); ESI-MS m/z: 255 [M+1]+, Retention time 1.64 min (condition A). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In water; N,N-dimethyl-formamide; at 20℃; | Example 4: Preparation of (E)-3-(methylsulfonyl)acrylic acid (Compound 15) (0534) (0535) (E)-3-(methylsulfonyl)acrylic acid was prepared according to Guan et al., Synthesis 2007, 1465-1470, the disclosure of which is incorporated herein by reference. (0536) 1H NMR (DMSO-d6, 300 MHz): delta 13.50 (br. s, 1H), 7.59 (d, J=15.6 Hz, 1H), 6.57 (d, J=15.6 Hz, 1H), 3.15 (s, 3H) (0537) 13C NMR (DMSO-d6, 75 MHz): delta 164.7, 142.6, 131.7, 41.5 (0538) m/z=149.07 [M-H]+ (0539) HRMS (EI): [M-H]+ calc'd for C4H6O4S m/z 148.9909, found 148.9905. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
100% | In dimethyl sulfoxide; at 80℃; for 22h; | <strong>[67515-59-7]4-Fluoro-3-(trifluoromethyl)benzonitrile</strong> (400 mg, 2.12 mmol) was suspended together with sodium methanesulfinate (216 mg, 2.12 mmol) in DMSO (2 ml) and stirred at 800C for 22 hours. The reaction was then cooled, diluted with 25 ml H2O and filtered. Filtered solids were evaporated from toluene to give 536 mg of the title substance (quant).1H NMR (CDCl3) delta 8.49 (d, IH), 8.20 (s, IH), 8.10 (d, IH), 3.24 (s, 3H). |
100% | In dimethyl sulfoxide; at 80℃; for 22h; | 4-(Methylsulfonyl)-3-(trifluoromethyl)benzonitrile <strong>[67515-59-7]4-Fluoro-3-(trifluoromethyl)benzonitrile</strong> (400 mg, 2.12 mmol) was suspended together with sodium methanesulfinate (216 mg, 2.12 mmol) in DMSO (2 ml) and stirred at 80 C. for 22 hours. The reaction was then cooled, diluted with 25 ml H2O and filtered. Filtered solids were evaporated from toluene to give 536 mg of the title substance (quant). 1H NMR (CDCl3) delta 8.49 (d, 1H), 8.20 (s, 1H), 8.10 (d, 1H), 3.24 (s, 3H). |
90% | In N,N-dimethyl-formamide; at 100℃; for 2h; | A mixture of <strong>[67515-59-7]4-fluoro-3-trifluoromethylbenzonitrile</strong> (75 mg, 0.40 mmol), sodium sulfinate (44.5 mg, 0.44 mmol) in N,N-dimethylformamide (1.5 mL) was heated at 100 C. for 2 h. The reaction mixture was cooled to room temperature, quenched with water. The resulting white solid was collected via filtration, washed with cold water, dried in a vacuum oven to give 4-methanesulfonyl-3-trifluoromethyl-benzonitrile (90 mg, 90% yield). This benzonitrile was hydrogenated in 2N NH3 in methanol with 35 mg of Raney Ni under a hydrogen balloon for 2 h. The reaction mixture was filtered through a celite plug, washed with methanol, evaporated in vacuo to give the titled compound. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With copper(l) iodide; In dimethyl sulfoxide; at 100 - 125℃; for 3.33333h;Microwave irradiation; | A mixture of 4-bromo-1-iodo-2-methylbenzene (240 μL, 1.68 mmol, Aldrich), Copper(I) iodide (353 mg, 1.85 mmol, Alfa Aesar), Methanesulfinic acid, sodium salt (688 mg, 6.74 mmol, Alfa Aesar) and DMSO (7.2 mL) was purged with Argon and then heated under microwave condition at 125 C. for 20 min. The resulting mixture was stirred at 100 C. for 3 h and then cooled to room temperature. The reaction mixture was diluted with H2O and extracted with EtOAc (2×). The organic layers were combined and washed with brine, dried over Na2SO4 and concentrated in vacuo to a white solid. The solid was purified by flash chromatography (SiO2, 0-50% EtOAc in hexanes) to yield 270 mg of desired product as a white solid. MS (ESI) 249 (M+H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
50% | copper(I) trifluoromethanesulfonate benzene; N,N`-dimethylethylenediamine; In dimethyl sulfoxide; at 150℃; for 4.0h; | Intermediate 4: 6-Methanesulfonyl-2-methyl-pyridin-3-ylamine; A mixture of 3-amino-6-bromo-2-methylpyridine (ECA International Corporation, Palatine, Ill., USA; 2.0 g, 10.7 mmol), sodium methanesulfinate (Aldrich Chemical Company, Inc., Milwaukee, Wis., USA 5.13 g, 42.8 mmol), copper trifluoromethanesulfonate benzene complex (598 mg, 1.07 mmol), and N,N'-dimethylethylenediamine (115 muL, 1.07 mmol) in dimethylsulfoxide (15 mL) was heated at 150 C. for 4 h. The mixture was cooled and water and ethyl acetate were added. The aqueous layer was extracted three times with ethyl acetate. The combined organic layers were washed twice with water, and then concentrated to approximately 5 mL. This gave a precipitate which was filtered off, washed with a small amount of ethyl acetate and air dried to give 6-Methanesulfonyl-2-methyl-pyridin-3-ylamine (1 g, 50%) as a brown powder. 1H NMR (300 MHz, DMSO-d6) delta 2.30 (s, 3H), 3.05 (s, 3H), 6.04 (br s, 2H), 6.98 (d, 1H, J=8.4 Hz), 7.55 (d, 1H, J=8.2 Hz). |
copper(I) trifluoromethanesulfonate benzene; N,N`-dimethylethylenediamine; In dimethyl sulfoxide; at 150℃; for 1.0h; | Example 7 6-Methanesulfonyl-2-methyl-pyridin-3-ylamine A 5-L 4-neck flask equipped with a thermocouple controller, an overhead mechanical stirrer, a condenser, and a nitrogen inlet/outlet was charged with sodium methanesulfinate (568 g, 4.73 mol), copper(1 ) thfluoromethanesulfonate benzene complex (70 g, 0.139 mol), N, N'- dimethylethylenediamine (12.3 g, 0.139 mol), and bromo-amine (260 g, 1.39 mol) in DMSO (800 ml_). The resulting mixture was heated to 1500C for 1 hour. The resulting mixture was then diluted with H2O (1.5 L) and extracted with EtOAc (6 x 2 L). The combined organic layers were evaporated to dryness to yield a residue. The residue was purified via ISCO Prep chromatography system. The product containing fractions were combined and evaporated to dryness. The resulting product (residue) was placed in vacuum oven at 400C for 18 hours to yield 6-methanesulfonyl-2-methyl-pyhdin-3-ylamine as a as a brownish solid. MS: 187.1 MW+H+ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 120.0℃; for 13.35h;Irradiation; | step 1 -A tube was charged with 126a (0.540 g, 1.85 mmol, CASRN 210564-54-8) and methanesulfinic acid sodium salt (0.283 g 2.77 mmol), sealed and irradiated in a microwave reactor at 120 C. for 801 min. The reaction mixture was cooled to RT and diluted with EtOAc. The solution was thrice washed with H2O, brine, dried, filtered and concentrated in vacuo to afford 0.439 g of 126b as an oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
33.3% | With copper(l) iodide; L-proline; sodium hydroxide; In dimethyl sulfoxide; at 100℃; for 15h;Inert atmosphere; | Stir the mixture of l-bromo-3-nitro-5-(trifluoromethyl)benzene (6 g, 22.2 mmol), sodium methanesulfinate (2.8 g, 26.7 mmol), cuprous iodide (0.5 g, 2.22 mmol), L(-)-proline (0.5 g, 4.44 mmol) and sodium hydroxide (0.088 g, 4.44 mmol) in DMSO (20 mL) at 100C for 15 hrs under nitrogen atmosphere. Add water, extract the mixture with ethyl acetate (200 mLx3), combine the organic layers, dry over anhydrous sodium sulfate, and concentrate the mixture under reduced pressure. Purify the residue by flash chromatography to afford the desired product (2 g, 33.3%). |
33.3% | With copper(l) iodide; sodium hydride; L-proline; In dimethyl sulfoxide; at 100℃; for 15h;Inert atmosphere; | Stir the mixture of <strong>[630125-49-4]1-bromo-3-nitro-5-(trifluoromethyl)benzene</strong> (6 g, 22.2 mmol), sodium methanesulfinate (2.8 g, 26.7 mmol), cuprous iodide (0.5 g, 2.22 mmol), L(-)-proline (0.5 g, 4.44 mmol) and sodium hydroxide (0.088 g, 4.44 mmol) in DMSO (20 mL) at 100 C. for 15 hrs under nitrogen atmosphere. Add water, extract the mixture with ethyl acetate (200 mL*3), combine the organic layers, dry over anhydrous sodium sulfate, and concentrate the mixture under reduced pressure. Purify the residue by flash chromatography to afford the desired product (2 g, 33.3%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
570 mg | The product of Step 1 of Example 6 (940 mg, 4.65 mmol) in dimethylformamide (5 mL) at 5 C. is treated with triphenylphosphine (1710 mg, 6.5 mmol) and N-bromosuccinimide (1.24 g, 7.0 mmol) then stirred for 1 hour. Sodium methanesulfinate (980 mg, 9.3 mmol) and tetrabutylammonium iodide (175 mg, 0.45 mmol) are added and the mixture heated at 70 C. for 1 hour then cooled to room temperature, diluted with ethyl acetate (25 mL), washed with water (25 mL) and brine (25 mL), dried over MgSO4, filtered, concentrated, and the crude material purified by column chromatography on silica gel eluting with a gradient of ethyl acetate/heptane to afford the title compound (570 mg): m/z (CI) 265 [M+H]. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99.4% | With copper(l) iodide; sodium L-prolinate; In dimethyl sulfoxide; at 95℃; for 24h; | 5-bromoindoline (1g, 5.05mmol), L-proline sodium salt (139 mg, 1.0mmol), cuprous iodide (96 mg, 0 . 50mmol) and sodium methylsulfinate (618 mg, 6.05mmol) dissolved in dimethyl sulfoxide (10 ml). At 95 C stirring for 24 hours. The reaction is cooled down to the room temperature after the addition of water (50 ml) quenching after dichloromethane is used for extraction (50 ml × 2), combined with the organic phase, saturated sodium chloride solution (30 ml), anhydrous sodium sulfate drying, filtering, the filtrate is concentrated under reduced pressure to obtain a yellow solid title compound (0.99g, yield 99.4%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67.5% | In dimethyl sulfoxide; at 100 - 115℃; for 16h; | (1) Add <strong>[146137-78-2]5-trifluoromethyl-2-fluorobenzaldehyde</strong> 1.92 g (0.01 mol, 1 eq) to a 50 mL single-mouth bottle.sodium methanesulfinate 2.04 g (0.02 mol, 2 eq), then added to DMSO 14 mL, then stirred for 10 min.Heating, external temperature 115 C internal temperature 100 C reaction for 16 h,TLC (PE: EA=3:1, Rf original = 0.8, Rf=0.2) The reaction was complete, the temperature was lowered, and 80 mL of ice water was poured.The EA was extracted twice with 100 mL, and the organic phase was combined, washed with 50 mL of saturated brine for 3 times, and dried.A silica gel column chromatography (PE: EA = 3:1) gave a pale yellow solid (yield: 1.7 g, yield: 67.5%). |
67.46% | In dimethyl sulfoxide; at 100 - 115℃; for 16h; | In this example, 3-hydroxy-2,3-dihydroarylcyclothiophene-1,1-dioxide is prepared by the following reaction, wherein n in the formula I is a trifluoromethyl-substituted benzene, and X is F, R1. R2 is hydrogen, and the reaction formula is as follows: Add <strong>[146137-78-2]5-trifluoromethyl-2-fluorobenzaldehyde</strong> 1.92 g (0.01 mol, 1 eq) to a 50 mL single-mouth bottle.Sodium methylsulfinate 2.04 g (0.02 mol, 2 eq),Then add 14 mL of dimethyl sulfoxide, then stir for 10 min, heat,The external temperature was 115 C and the internal temperature was 100 C for 16 h. The reaction was complete by TLC.Cool down, pour 80 mL of ice water, extract 100 mL of ethyl acetate twice, and combine the organic phases.Wash 50 mL of saturated brine three times and dry.A sample of silica gel column chromatography (petroleum ether: ethyl acetate = 3:1) gave a pale yellow solid (yield: 1.7 g, yield: 67.46%). |
67.5% | In dimethyl sulfoxide; at 100℃; for 16h; | 50 mL single-mouth bottle, adding 1.92 g (0.01 mol, 1 eq) of <strong>[146137-78-2]5-trifluoromethyl-2-fluorobenzaldehyde</strong>,Sodium methyl sulfinate2.04g (0.02mol 2eq), then added 14mL of dimethyl sulfoxide, then stirred for 10min, heated, external temperature 115 C internal temperature 100 C reaction for 16h, TLC detection reaction is complete, cooling,Pour 80 mL of ice water, extract 100 mL of ethyl acetate twice, and combine the organic phases.The mixture was washed three times with 50 mL of a saturated aqueous solution of sodium chloride and evaporated to silica gel column chromatography ( petroleum ether: ethyl acetate = 3:1) to give a pale yellow solid compound 5 about 1.7 g, yield 67.5%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
56% | Add 2.9g (i.e. 20mmol) <strong>[580-15-4]6-quinolinamine</strong> and 6mL (i.e. 24mmol tetrafluoroboric acid) tetrafluoroborate aqueous solution to a 50mL round-bottomed reaction flask, stir for 15 minutes, and then add 1.5g (i.e. 22mmol) nitrous acid Sodium, reacted at 5C for 1 h, and filtered after the reaction to obtain 6-quinoline diazonium salt; add the 6-quinoline diazonium salt, 2.5 g (ie 24 mmol) of methyl methylene in a 100 mL round-bottomed reaction flask Sodium sulfonate and 30mL 1,2-dichloroethane were reacted at 0C for 8h, after the reaction was filtered, the filtrate was concentrated, and 6-quinolineazomethylsulfone was obtained by recrystallization. The structural formula of <strong>[580-15-4]6-quinolinamine</strong> is: the structural formula of sodium nitrite is: NaNO2, the structural formula of tetrafluoroboric acid is: HBF4, the structural formula of sodium methanesulfinate is: CH3SO2Na, the structural formula of 6-quinoline azo methyl sulfone for: The product obtained in this example is a yellow solid with a yield of 56%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With copper(l) iodide; L-proline; In dimethyl sulfoxide; at 100℃; for 24h; | Add dimethyl sulfoxide (4.0mL) to a 50mL pressure-resistant tube in sequence.<strong>[13534-90-2]3,4-dibromopyridine</strong> (5mmol, 1.185g),Sodium methylsulfinate (6mmol, 0.613g),Ketone iodide (0.5mmol, 0.095g),L-proline (1.0 mmol, 0.115 g),The inverse temperature was controlled at 100 degrees Celsius, and the reaction was stirred vigorously for 24 hours.After the reaction is over,After cooling to room temperature, the reaction solution was concentrated and separated by column chromatography.The target product, 3-bromo-4-methanesulfonylpyridine (1.06 g, 90%) was obtained. |
Tags: 20277-69-4 synthesis path| 20277-69-4 SDS| 20277-69-4 COA| 20277-69-4 purity| 20277-69-4 application| 20277-69-4 NMR| 20277-69-4 COA| 20277-69-4 structure
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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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