chempirical

2-Chlorobenzenesulfonyl chloride

C6H4Cl2O2SCAS 2905-23-9211.06 g/mol

Open in Covalent MOL file
OSOClCl
Aryl halide

Properties

Molecular formula
C6H4Cl2O2S
Molar mass
211.06 g/mol
Exact mass
209.9309 Da
Melting point
27.4 °C
Boiling point
144–146 °C (at 12 Torr)
logP
2.27Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2905-23-9
SMILES
O=S(=O)(Cl)c1ccccc1Cl
InChIKey
KMVZDSQHLDGKGV-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H

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Names and synonyms

6 names
  • Benzenesulfonyl chloride, 2-chloro-
  • Benzenesulfonyl chloride, o-chloro-
  • o-Chlorobenzenesulfonyl chloride
  • 2-Chlorophenylsulfonyl chloride
  • NSC 151229
  • 2-Chlorobenzene-1-sulfonyl chloride

Work with 2-Chlorobenzenesulfonyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dichlorobenzenesulfonyl chloride82417-45-670 % similar 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-066 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-666 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-362 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-362 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-059 % similar 1-Naphthalenesulfonyl chloride85-46-159 % similar 2-Methylbenzenesulfonyl chloride133-59-555 % similar

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

Same formula

3-Chlorobenzenesulfonyl chloride2888-06-4 4-Chlorobenzenesulfonyl chloride98-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook