1-Chloro-2-((trifluoromethyl)sulfonyl)benzene
Completing data — refresh the page later to see the latest
Basic information
- CAS
382-70-7- Standard SMILES
O=S(=O)(c1ccccc1Cl)C(F)(F)F- InChIKey
BHTJSAXMAMTBNJ-UHFFFAOYSA-N- Molecular formula
- C7H4ClF3O2S
- Average molar mass
- 244.62 g/mol
- Monoisotopic mass
- 243.95726271
Names & identifiers
- Preferred name
- 1-Chloro-2-((trifluoromethyl)sulfonyl)benzene
- IUPAC
- 1-chloro-2-(trifluoromethylsulfonyl)benzene
- English name
- Benzene, 1-chloro-2-[(trifluoromethyl)sulfonyl]-
- Molecular formula
- C7H4ClF3O2S
- Molecular weight
- 244.6186696
Names & synonyms
382-70-71-Chloro-2-((trifluoromethyl)sulfonyl)benzene2-(Trifluoromethylsulfonyl)chlorobenzene1-chloro-2-(trifluoromethylsulfonyl)benzeneMFCD008048461-chloro-2-trifluoromethanesulfonyl-benzene1-Chloro-2-[(trifluoromethyl)sulfonyl]benzeneSCHEMBL4433417SCHEMBL30165578DTXSID60402041AKOS021983358SY375463
Show more names
1-chloro-2-trifluoromethanesulfonylbenzeneBenzene, 1-chloro-2-[(trifluoromethyl)sulfonyl]-
DB-1910711-Chloro-2-(trifluoromethanesulfonyl)benzeneEU-00002372-(Trifluoromethylsulfonyl)chlorobenzene; 98%G75343F939160SR-01000390075SR-01000390075-1
Database identifiers
- CAS
382-70-7- PubChem CID
- 4335397
- DTXSID
DTXSID60402041
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- 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
- 293
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- 30 °C · Colorless to off-white 30°C Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
Loading…