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

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

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

Weigh it out

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

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 1,2-Benzenedisulfonyl dichloride6461-76-370 % 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 1,5-Naphthalenedisulfonyl chloride1928-01-462 % similar 2,6-Dichlorobenzenesulfonylchloride6579-54-062 % 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