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

Hazards

Danger
Corrosive (GHS05)

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

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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 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride2991-84-642 % similar Trifluoromethanesulfonyl fluoride335-05-738 % similar Lutetium(III) trifluoromethanesulfonate126857-69-038 % similar Indium(III) trifluoromethanesulfonate128008-30-038 % similar Dysprosium(III) trifluoromethanesulfonate139177-62-138 % similar Erbium triflate139177-64-338 % similar Thulium(III) trifluoromethanesulfonate141478-68-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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