chempirical

Trichloromethanesulfonyl chloride

CCl4O2SCAS 2547-61-7217.87 g/mol

Open in Covalent MOL file
OSOClClClCl
Alkyl halide

Properties

Molecular formula
CCl4O2S
Molar mass
217.87 g/mol
Exact mass
215.8373 Da
Melting point
140.5 °C
Boiling point
170 °C
logP
1.88Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
2547-61-7
SMILES
O=S(=O)(Cl)C(Cl)(Cl)Cl
InChIKey
ZCPSWAFANXCCOT-UHFFFAOYSA-N
InChI
InChI=1S/CCl4O2S/c2-1(3,4)8(5,6)7

Weigh it out

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

Names and synonyms

4 names
  • Methanesulfonyl chloride, trichloro-
  • Trichloromethylsulfonyl chloride
  • Trichloromesyl chloride
  • NSC 59663

Work with Trichloromethanesulfonyl 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

Trifluoromethanesulfonyl chloride421-83-045 % similar 1-Allylcyclopropanesulfonyl chloride923032-59-137 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook