3-[3,5-bis(trifluoromethyl)phenyl]benzenesulfonyl Chloride
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Basic information
- CAS
885950-94-7- Standard SMILES
O=S(=O)(Cl)c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1- InChIKey
MYMUROIBJCPGHV-UHFFFAOYSA-N- Molecular formula
- C14H7ClF6O2S
- Average molar mass
- 388.71 g/mol
- Monoisotopic mass
- 387.9759473
Names & identifiers
- Preferred name
- 3-[3,5-bis(trifluoromethyl)phenyl]benzenesulfonyl Chloride
- IUPAC
- 3-[3,5-bis(trifluoromethyl)phenyl]benzenesulfonyl chloride
- English name
- 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BENZENESULFONYL CHLORIDE
- Molecular formula
- C14H7ClF6O2S
- Molecular weight
- 388.71
Names & synonyms
885950-94-73-[3,5-bis(trifluoromethyl)phenyl]benzenesulfonyl Chloride3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-3-sulfonyl chlorideMFCD016318883',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-3-sulfonylchlorideSCHEMBL14120723MYMUROIBJCPGHV-UHFFFAOYSA-NDTXSID301181949AR1691AKOS027334865AS-45188CS-0173105
Show more names
[1,1'-Biphenyl]-3-sulfonyl chloride, 3',5'-bis(trifluoromethyl)-
F306092(3-[3,5-Bis(trifluoromethyl)phenyl]phenyl)sulfonylchloride3',5'-Bis(trifluoromethyl)[1,1'-biphenyl]-3-sulfonyl chloride3a(2),5a(2)-Bis(trifluoromethyl)[1,1a(2)-biphenyl]-3-sulfonyl chloride
Database identifiers
- CAS
885950-94-7- PubChem CID
- 3677643
- DTXSID
DTXSID301181949
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- Boiling point
- 385.8 · 385.8±42.0 °C(Predicted)
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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