3-Chlorobenzenesulfonyl chloride

C6H4Cl2O2SCAS 2888-06-4211.06 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
Boiling point
142–145 °C (at 16 Torr)
logP
2.27Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 85 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
2888-06-4
SMILES
O=S(=O)(Cl)c1cccc(Cl)c1
InChIKey
OINWZUJVEXUHCC-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H

Weigh it out

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Names and synonyms

6 names
  • Benzenesulfonyl chloride, 3-chloro-
  • Benzenesulfonyl chloride, m-chloro-
  • m-Chlorobenzenesulfonyl chloride
  • 3-Chlorophenylsulfonyl chloride
  • 3-Chlorobenzene-1-sulfonyl chloride
  • 3-Chlorobenzenesulphonyl chloride

Work with 3-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

1,3-Benzenedisulfonyl dichloride585-47-775 % similar 3,5-Dichlorobenzenesulfonyl chloride705-21-565 % similar 6-Chloronaphthalene-2-sulfonyl chloride102153-63-963 % similar 3-Fluorobenzenesulfonyl chloride701-27-962 % similar M-Toluenesulfonyl chloride1899-93-060 % similar 3-Bromobenzenesulfonyl chloride2905-24-060 % similar 3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-058 % similar Benzenesulfonyl chloride98-09-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chlorobenzenesulfonyl chloride2905-23-9 4-Chlorobenzenesulfonyl chloride98-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook