chempirical

Trifluoromethanesulfonyl chloride

CClF3O2SCAS 421-83-0168.51 g/mol

Open in Covalent MOL file
OSOClFFF
Alkyl halide

Properties

Molecular formula
CClF3O2S
Molar mass
168.51 g/mol
Exact mass
167.9260 Da
Melting point
−26 °C
Boiling point
30.5 °C
logP
1.07Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
421-83-0
SMILES
O=S(=O)(Cl)C(F)(F)F
InChIKey
GRGCWBWNLSTIEN-UHFFFAOYSA-N
InChI
InChI=1S/CClF3O2S/c2-8(6,7)1(3,4)5

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Methanesulfonyl chloride, trifluoro-
  • Trifluoromethylsulfonyl chloride
  • Triflyl chloride
  • Trifluoromethylsulfuryl chloride

Work with Trifluoromethanesulfonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trichloromethanesulfonyl chloride2547-61-745 % similar Trifluoromethanesulfonyl fluoride335-05-738 % similar Lutetium(III) trifluoromethanesulfonate126857-69-038 % similar Indium(III) trifluoromethanesulfonate128008-30-038 % similar Erbium triflate139177-64-338 % similar Scandium(III) trifluoromethanesulfonate144026-79-938 % similar Barium bis(trifluoromethanesulfonate)2794-60-738 % similar Silver trifluoromethanesulfonate2923-28-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook