Basic information
- CAS
33330-46-0- Standard SMILES
O=S(=O)(CCCl)c1ccc(F)cc1- InChIKey
VOJIERKKDNYFCX-UHFFFAOYSA-N- Molecular formula
- C8H8ClFO2S
- Average molar mass
- 222.66 g/mol
- Monoisotopic mass
- 221.9917564
Names & identifiers
- Preferred name
- 1-(2-Chloroethanesulfonyl)-4-fluorobenzene
- IUPAC
- 1-(2-chloroethylsulfonyl)-4-fluorobenzene
- English name
- 2-CHLOROETHYL 4-FLUOROPHENYL SULFONE
- Molecular formula
- C8H8ClFO2S
- Molecular weight
- 222.66
Names & synonyms
33330-46-01-(2-chloroethanesulfonyl)-4-fluorobenzeneDTXSID00371409RefChem:223321DTXCID703224432-CHLOROETHYL 4-FLUOROPHENYL SULFONE1-((2-Chloroethyl)sulfonyl)-4-fluorobenzene1-(2-chloroethylsulfonyl)-4-fluorobenzene2-Chloroethyl 4-fluorophenyl sulphone1-[(2-Chloroethyl)sulfonyl]-4-fluorobenzeneMFCD002034832-chloro-1-[(4-fluorophenyl)sulfonyl]ethane
Show more names
2-Chloroethyl4-fluorophenylsulphone97%2-Chloroethyl 4-fluorophenyl sulphone 97%Benzene, 1-[(2-chloroethyl)sulfonyl]-4-fluoro-
1-(2-chloroethylsulfonyl)-4-fluoro-benzeneSCHEMBL1148799VOJIERKKDNYFCX-UHFFFAOYSA-NSBB096387AKOS0091588732-Chloroethyl-(4-fluorophenyl)sulphonePS-11526DB-020928
Database identifiers
- CAS
33330-46-0- PubChem CID
- 2736505
- DTXSID
DTXSID00371409- EC Number
- 681-786-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 67 °C · 67 °C
- Boiling point
- 352.7 · 352.7±42.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 33330 · 33330-46-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2904990090 · 2904990090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2904990090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
上海莉凯化工技术有限公司16628776521 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
厦门盈融达化工有限公司+86-0592-6210733 · [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]
山西诺诚生物科技有限公司17835231871 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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