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Structure of 98-68-0
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
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CAS No. : | 98-68-0 |
Formula : | C7H7ClO3S |
M.W : | 206.65 |
SMILES Code : | O=S(C1=CC=C(OC)C=C1)(Cl)=O |
MDL No. : | MFCD00007446 |
InChI Key : | DTJVECUKADWGMO-UHFFFAOYSA-N |
Pubchem ID : | 7401 |
GHS Pictogram: |
![]() |
Signal Word: | Danger |
Hazard Statements: | H314-H290 |
Precautionary Statements: | P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 |
Class: | 8 |
UN#: | 3261 |
Packing Group: | Ⅱ |
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 | 46.02 |
TPSA ? Topological Polar Surface Area: Calculated from |
51.75 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
1.89 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
1.54 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
2.7 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
1.23 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
1.31 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
1.74 |
Log S (ESOL):? ESOL: Topological method implemented from |
-2.33 |
Solubility | 0.968 mg/ml ; 0.00468 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-2.24 |
Solubility | 1.2 mg/ml ; 0.00581 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-3.07 |
Solubility | 0.175 mg/ml ; 0.000847 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) |
Yes |
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 |
-6.47 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 |
0.0 |
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 |
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) |
1.66 |
* 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 |
---|---|---|
0.86 g (57%) | In pyridine; | EXAMPLE 31 3-Hydroxy-2-(4-methoxy-benzenesulfonylamino)-benzoic acid methyl ester To a solution of 0.748 g (4.48 mmol) of the product of Example 30 in 10.0 mL of pyridine was added 0.928 g (4.48 mmol) of p-methoxybenzenesulfonyl chloride. The reaction mixture was stirred for 24 h at room temperature and then diluted with chloroform and washed with 5% HCl solution and water. The organic layer was then dried over MgSO4, filtered and concentrated in vacuo. The residue was triturated with ether-hexanes and the resulting solid was filtered and dried to provide 0.86 g (57%) of the desired product as a tan solid. Electrospray Mass Spec: 338.2 (M+H)+ |
0.86g (57%) | In pyridine; | Example 31 3-Hydroxy-2-(4-methoxy-benzenesulfonylamino)-benzoic acid methyl ester To a solution of 0.748g (4.48mmol) of the product of Example 30 in 10.0mL of pyridine was added 0.928g (4.48mmol) of p-methoxybenzenesulfonyl chloride. The reaction mixture was stirred for 24h at room temperature and then diluted with chloroform and washed with 5% HCl solution and water. The organic layer was then dried over MgSO4, filtered and concentrated in vacuo. The residue was triturated with ether-hexanes and the resulting solid was filtered and dried to provide 0.86g (57%) of the desired product as a tan solid. Electrospray Mass Spec: 338.2 (M+H)+ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With pyridine; In ethyl acetate; | Example 121 3-(4-Methoxy-benzenesulfonylamino)-4-methoxy-N-phenyl-benzamide A mixture of 4-methoxybenzenesulfonyl chloride (2.21 g, 10.0 mmol), 3-amino-4-methoxy-N-phenyl-benzamide (2.43 g, 10.0 mmol) and pyridine (25 mL) was allowed to stand at room temperature until thin layer chromatography indicated the reaction to be complete. The mixture was then partitioned between water (400 mL) and ethyl acetate (400 mL). The layers were separated and the organic layer washed with water (2*400 mL), 1N HCL (100 mL), and brine (100 mL) dried (magnesium sulfate), filtered and stripped of solvent. Trituration of the residue in hexanes/ethyl acetate (1:1) and filtration afforded the product (3.754 g); m.p. 184-186 C. Calculated for C21H20N2O5S: C, 61.15; H, 4.89; N, 6.79. Found: C, 61.20; H, 5.03; N, 6.78. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
96% | With triethylamine; In dichloromethane; at 0 - 20℃; | 2-(2-(4-Methoxyphenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid S15; Methyl 2-(2-(4-methoxyphenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate; <strong>[91640-73-2]2-(1,2,3,4-Tetrahydroisoquinolin-1-yl)acetic acid methyl ester</strong> (9.55 g, 46.5 mmol) was dissolved in DCM (150 ml), and triethylamine (14.9 ml, 106 mmol) was added thereto. The reaction mixture was cooled to 0 C., and a solution of methoxybenzenesulfonyl chloride (8.74 g, 42.3 mmol) in DCM (100 ml) was added dropwise thereto. The reaction mixture was stirred overnight at room temperature. For working up, 100 ml of a 0.5 M HCl solution were added and then the phases were separated. The organic phase was first washed with water and then dried over sodium sulfate. The crude product was purified by column chromatography on silica gel (mobile phase: DCM).Yield: 15.22 g (96%) |
96% | With triethylamine; In dichloromethane; at 0 - 20℃; | Et3N (14.9 ml, 106 mmol) was added to a solution of the ester (9.55 g, 46.5 mmol) in CH2Cl2 (150 ml). The reaction mixture was cooled to 0 C. and a solution of the sulfonyl halide (42 mmol) in CH2Cl2 (100 ml) was added dropwise. After stirring at RT overnight, 0.5 M HCl (100 ml) was added and the organic phase was separated off and washed with water. After drying over Na2SO4 and filtration, the solvent was removed in vacuo. The product was purified via column chromatography (silica, CH2Cl2). Yield: 15.22 g 96%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In pyridine; | N-{6-[7-(2,2-Dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1H-indol-4-yl}-4-methoxy-benzenesulfonamide. Substituting N-(6-bromo-1H-indol-4-yl)-4-methoxy-benzenesulfonamide (prepared by treatment of <strong>[350800-81-6]6-bromo-1H-indol-4-ylamine</strong> with 4-methoxy-benzenesulfonyl chloride in pyridine) for 6-bromo-2,2-dimethyl-4H-benzo[1,4]oxazin-3-one. MP=231-233 C, (M+H)+=504. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With pyridine; | N-{6-[7-(2,2-Dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1H-indol-4-yl}-4-methoxy-benzenesulfonamide. Substituting N-(6-bromo-1H-indol-4-yl)-4-methoxy-benzenesulfonamide (prepared by treatment of <strong>[350800-81-6]6-bromo-1H-indol-4-ylamine</strong> with 4-methoxy-benzenesulfonyl chloride in pyridine) for 6-bromo-2,2-dimethyl-4H-benzo[1,4]oxazin-3-one. MP=231-233 C, (M+H)+=504. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
97% | With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide; In dichloromethane; | 7-Bromo-l-(4-methoxy-benzenesulfonyl)-lH-pyrrolo[2,3-c]pyridine (3 in Scheme 1):; Potassium hydroxide (1.71 g, 30.45 mmol) and tetra-n-butylammonium hydrogen sulfate (0.345 g, 1.015 mmol) were added to a solution of 2 (2.0 g, 10.15 mmol) in dichloromethane (100 mL).The reaction mixture thus formed was stirred for 30 min. 4-Methoxysulfonyl chloride (4.2 g,20.3 mmol) was added slowly to the reaction mixture. After 1 h the mixture was quenched with water and extracted with CΗ2CI2 The combined organic layers were dried over MgSO4, the dried solution was filtered, and the filtrate was concentrated. The residue was purified by silica gel column chromatography (EtOAc: w-hexane = 1: 1) to afford 3 (3.6 g, 97%).1H NMR (500 MHz, CDCl3): δ 3.84 (s, 3H), 6.72 (d, IH, J=3.7 Hz), 6.94 (d, 2H, J= 8.9Hz), 7.46 (d, IH, J =5.1 Hz), 7.77 (d, 2H, J= 8.9 Hz), 8.07 (d, IH, J=3.7 Hz), 8.12 (d, IH, J =5.2 Hz). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98.3% | With bis(benzonitrile)palladium(II) dichloride; tributylphosphine; 25,26,27,28-tetrakis(hydroxy)calix[4]arene; sodium carbonate; In 1,4-dioxane; at 100℃; for 20h;Inert atmosphere; | The synthesis reactor was charged with lmmo 1 compound of formula (I) and 2 mmo 1 compound of formula (II), followed by the addition of 4 ml of solvent 1, 4-dioxane and 5 mmol of sodium carbonate were added, and 0.07 mmol of Pd (PhCN)2Cl2 and 80 mg of a cup having a mass ratio of 1: 0.8 were added with stirring [4] a mixture of aromatic hydrocarbons and tributylphosphine, followed by argon-vacuum evacuation for three times, followed by sealing and stirring Gradually warm to l00 C reaction 20h, after the completion of the reaction to cool to room temperature, the mixture was filtered, steamed, after silica gel column chromatography To give a compound of formula (III) in a yield of 98.3% and a purity of 98.9% (HPLC). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | With pyridine; In tetrahydrofuran; at 60 - 65℃; for 0.25h;Microwave irradiation; | General procedure: To a solution of <strong>[92914-74-4]3-aminoisoxazolo[5,4-b]pyridine</strong>(1) (1.35 g, 0.01 mol) in 100 mL of tetrahydrofurane tetrahydrofurane,a few drops of anhydrous pyridine and 0.01mol of the appropriate arylsulfonyl chlorides: benzene-,4-bromobenzene-, 4-chlorobenzene-, ptoluene-and 4-methoxybenzenesulfonyl chlorideswere added. The reaction mixture was heated underreflux while being stirred in the microwave reactorin an aluminum bath at 60-65OC for 15 min (3 5min with 5 min breaks) at microwave power P = 240W. The solvent was evaporated under vacuum andthe residue obtained was triturated with water, filtered,dried and crystallized from ethanol. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | With triphenylphosphine; potassium iodide; In ethanol; at 100℃; for 24h;Sealed tube; | General procedure: 2-substituted benzofurans (0.5 mmol), aryl sulfonyl chloride (0.6 mmol), PPh3 (262 mg, 1.0 mmol), KI (17 mg, 0.1 mmol) or KI (42 mg, 0.25 mmol) and EtOH (1.0 mL) were mixed in a sealed tube. The mixture was stirred at 90 C or 100 C for 12 hours or 24 hours. Then, the solvent was evaporated under reduced pressure and the residue was purified by silica gel column chromatography to afford the pure product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | With triethylamine; In tetrahydrofuran; at 20℃; for 4h; | General procedure: Coumarin sulfonates 1-38 were synthesized by reactingdifferent hydroxylated coumarin derivatives (1 mmol) withcommercially available sulfonyl chlorides derivatives (1.2 mmol) inTHF (15 mL) and triethyl amine (1 mmol) was used as base. Reactionmixture was stirred for 4 h at room temperature to afford avariety of coumarin sulfonate esters 1e38. TLC monitoring wasused to determine the progress of the reaction. After the completionof reaction, THF was evaporated under reduced pressure andthe solid product obtained was washed with distilled water anddried under vacuum. The products were recrystallized in methanoland gave good yields. All the synthetic compounds 1-38 werecharacterized by different spectroscopic techniques such as EI-MS,HREI-MS, 1H-NMR, and 13C-NMR. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | With potassium carbonate; In dichloromethane; at 0 - 20℃; | General procedure: At 0 ° C,Take buprofezin(1) 0.5 g (0.002 mol)Was added to 20 ml of dichloromethane, And then to the reaction solution 1.8 g (0.006 mol) of anhydrous potassium carbonate and the substituted benzenesulfonyl chloride or benzoyl chloride (0.0018 mol) were successively added, and the mixture was stirred at room temperature mix. TLC was detected until the reaction was complete. Organic phase concentrated evaporated, add methylene chloride solvent dissolved, followed by water, saturated salt water washing. Drying the dichloromethane layer and evaporating the solvent with a rotary evaporator to obtain a crude product of a 12-N acyl or sulfonylsuccinate derivative, Add 20ml methylene chloride solvent dissolved, mixed with silica gel, and then by column chromatography separation, to be 12-N-acyl or sulfonyl-podic acid pure 3Or 4. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82.2% | With triethylamine; In methanol; at 20℃; | General procedure: Solutions of selected methyl ketones (2 mmol) in methanol(6 mL) were stirred and corresponding sulfonylchlorides (2.4 mmol) were added. Then, triethylamine(0.6 mL) was added dropwise. The mixtures were stirredovernight at room temperature. After completion of thereactions, mixtures were poured into iced water withstirring. In some cases (for our compounds 7f, 7g, 8e, 8f,8g, and 9g; see below), the formed precipitate was filteredand washed with cold diethyl ether. In other cases, whenno precipitate formed, the organic layer was extractedwith dichloromethane (3 × 50 mL), dried over anhydrousNa2SO4 and evaporated under vacuum. The residue waspurified by short column chromatography on silica gel,using dichloromethane as eluent. The oil obtained usuallycrystallized; if not, the oily residue was dissolved indiethyl ether from which products crystallized on standingin a deepfreeze. Crude products were washed with coldether, and 21 pure, mostly white crystals were obtained, asfollows: |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
91% | With triethylamine; In dichloromethane; at 25℃; for 8.0h; | General procedure: An equimolar mixture of N-(2,6-dimethy lphenyl)-2-(piperazin-1-yl)acetamide 4 (0.001 mol) and different substituted benzene sulfonyl chlorides 5a-e (0.001 mol) in methylene dichloride were stirred for about 8 h in presence of triethylamine at 25oC. The completion of the reaction was checked by TLC. Then it was poured into ice-cold water and extracted with MDC. The organic layer was washed with brine solution, dried over anhydrous sodium sulphate and concentrated under reduced pressure to get piperazine sulphonamide derivatives 6a-e in high yield. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82.8% | With triethylamine; In dichloromethane; at 25℃; for 4h; | General procedure: To a mechanically stirred suspension of suspension of 1 (0.21 g, 0.53 mmol) in 30 ml CH2Cl2 were added triethylamine (0.5 ml) and aromatic sulfonyl chloride (0.53 mmol) at 25 C for 4 h. The reaction process was detected by TLC method. Then, antagonized by dilute sodium hydroxide, extracted, and washed with ether and water, evaporated under vacuum. Finally, the mixture was recrys-tallizated from ethyl acetate , providing a total product yield of 65.4%-88.6 %. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
83% | With pyridine; dmap; In dichloromethane; at 20 - 60℃; for 6h; | General procedure: 2-bromopyridin-3-amine (1) (500 mg, 2.89 mmol) and (2-methoxyphenyl)boronic acid (483 mg, 3.18 mmol) was dissolvedin toluene/H2O (2/1, v/v, 15 mL). Then, K2CO3 (1.6 g, 11.56 mmol)and Pd(PPh3)4 (167 mg, 0.145 mmol) were added, the reactionmixture was stirred at 80 C for 8 h with N2 atmosphere. The solventwas removed under reduced pressure, then the mixture wasextracted with EA/H2O (3/1, v/v, 50 mL) for three times and the EAlayer was merged. The organic layer was dried with Na2SO4 andconcentrated under reduced pressure to obtain the crude product. The crude product was purified by silica gel column chromatography(PE: EA 2: 1) to give a yellowish solid 2-(2-methoxyphenyl)pyridin-3-amine (2a) (310 mg, 60%).Compound 2a (100 mg, 0.499 mmol) and DMAP (61 mg,0.499 mmol) was dissolved in CH2Cl2 (8 mL), and pyridine (1 mL)was added subsequently. 4-methoxybenzenesulfonyl chloride(103 mg, 0.499 mmol) was added dropwise into the mixture atroom temperature. Then, the mixture turned to 60 C and stirredunder reflux for 6 h. CH2Cl2 was removed and the mixture wasextracted with EA/H2O (3/1, v/v, 30 mL) for three times. The organiclayer was collected and dried with Na2SO4, then concentrated underreduced pressure to obtain the crude product. The crudeproduct was purified by silica gel column chromatography (PE:EA 3: 1) to give a white solid HoAn1 (122 mg, 66%). |
Tags: 98-68-0 synthesis path| 98-68-0 SDS| 98-68-0 COA| 98-68-0 purity| 98-68-0 application| 98-68-0 NMR| 98-68-0 COA| 98-68-0 structure
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Precautionary Statements-General | |
Code | Phrase |
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Code | Phrase |
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P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
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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