Basic information
- CAS
383-11-9- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)C(F)(F)F- InChIKey
PVPZMAOFUOXVHI-UHFFFAOYSA-N- Molecular formula
- C7H4ClF3O2S
- Average molar mass
- 244.62 g/mol
- Monoisotopic mass
- 243.95726271
Names & identifiers
- Preferred name
- 1-Chloro-4-(trifluoromethylsulfonyl)benzene
- IUPAC
- 1-chloro-4-(trifluoromethylsulfonyl)benzene
- English name
- 4-(Trifluoromethylsulfonyl)chlobenzene
- Molecular formula
- C7H4ClF3O2S
- Molecular weight
- 244.62
Names & synonyms
383-11-91-chloro-4-(trifluoromethylsulfonyl)benzene1-chloro-4-trifluoromethanesulfonylbenzene4-(Trifluoromethylsulfonyl)chlobenzeneMFCD001590844-(trifluoromethylsulfonyl)chlorobenzene1-chloro-4-[(trifluoromethyl)sulfonyl]benzene4-Chlorophenyl trifluoromethyl sulfone1-Chloro-4-((trifluoromethyl)sulfonyl)benzene1-chloro-4-(trifluoromethanesulfonyl)benzene4-chloro-1-[(trifluoromethyl)sulfonyl]benzeneEnamine_000016
Show more names
AURORA 23235OTAVA-BB BB72112800164-Chlorophenyl trifluoromethyl sulphone4-TRIFLUOROMETHYLSULFONYL-CHLOROBENZENE4-(TRIFLUOROMETHYLSULPHONYL)CHLOROBENZENE4-(trifluoromethylsulfonyl)-1-chlorobenzeneBenzene, 1-chloro-4-[(trifluoromethyl)sulfonyl]-4-[(Trifluoromethyl)sulphonyl]chlorobenzene, 1-Chloro-4-[(trifluoromethyl)sulphonyl]benzene
SCHEMBL193305SCHEMBL1828426DTXSID70351556HMS1394A16p-trifluoromethylsulfonylchlorobenzeneBBL023350CCG-53648SBB015452
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Melting point
- 61 · 61-61,5°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety data
- hs_code
- 2930909899
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
23 records
Compound notes
Loading…