Basic information
- CAS
40517-43-9- Standard SMILES
CS(=O)(=O)c1ccc(CCl)cc1- InChIKey
LXPRVXKHIXWBJZ-UHFFFAOYSA-N- Molecular formula
- C8H9ClO2S
- Average molar mass
- 204.67 g/mol
- Monoisotopic mass
- 204.00117821
Names & identifiers
- Preferred name
- 1-(Chloromethyl)-4-methanesulfonylbenzene
- IUPAC
- 1-(chloromethyl)-4-methylsulfonylbenzene
- English name
- P-(METHYLSULFONYL)BENZYL CHLORIDE
- Molecular formula
- C8H9ClO2S
- Molecular weight
- 204.67
Names & synonyms
1-(chloromethyl)-4-methanesulfonylbenzeneRefChem:427498674-097-940517-43-91-(Chloromethyl)-4-(methylsulfonyl)benzene4-(methylsulfonyl)benzyl chloridep-(Methylsulfonyl)benzyl chloride1-(chloromethyl)-4-methylsulfonylbenzeneMFCD00079774p-Methylsulfonylbenzyl chloride4-methylsulfonylbenzyl chloride4-(methylsulfonyl)benzylchloride
Show more names
1-CHLOROMETHYL-4-METHANESULFONYL-BENZENE
1-(chloromethyl)-4-methylsulfonyl-benzeneBenzene, 1-(chloromethyl)-4-(methylsulfonyl)-p-methylsufonylbenzyl chlorideSCHEMBL3985704-methanesulfonylbenzyl chloridep- methylsulfonylbenzyl chloridealpha-BromomethylparatolylsulfoneDTXSID10960924
Database identifiers
- CAS
40517-43-9、53606-06-7- PubChem CID
- 123530
- DTXSID
DTXSID10960924- EC Number
- 674-097-9
- Nikkaji
- J3.683.175H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 78 · 78-80°C
- Boiling point
- 190 · 190-210 °C(Press: 11.5 Torr)
- Density
- 1.287 · 1.287
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 40517 · 40517-43-9(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
- Hazard Codes
- Xi
- RIDADR
- 1759 · UN1759
- HazardClass
- IRRITANT, LACHRYMATOR
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (50%)
Safety data
- ridadr
- UN1759
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT, LACHRYMATOR
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Chemistry & industry
Applications
UsesP-(METHYLSULFONYL)BENZYL CHLORIDE is used as a pharmaceutical intermediate for the new generation of indolealkyl acid anti-inflammatory drugs—cycloheptaneindolealkyl acid anti-inflammatory drugs.
Suppliers36 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972
上海志信生物医药科技有限公司18701958033 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
常州安赛普化工有限公司0519-86305871 · [email protected]
苏州西博利生物科技有限公司17326194005
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
40 records
Compound notes
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