4-Chlorobenzenesulfonyl chloride

C6H4Cl2O2SCAS 98-60-2211.06 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
55 °C
Boiling point
141 °C (at 15 Torr)
logP
2.27Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 97 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
98-60-2
SMILES
O=S(=O)(Cl)c1ccc(Cl)cc1
InChIKey
ZLYBFBAHAQEEQQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

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

Names and synonyms

7 names
  • Benzenesulfonyl chloride, 4-chloro-
  • Benzenesulfonyl chloride, p-chloro-
  • p-Chlorobenzenesulfonyl chloride
  • p-Chlorophenylsulfonyl chloride
  • 4-Chlorophenylsulfonyl chloride
  • NSC 6956
  • 4-Chlorobenzene-1-sulfonyl chloride

Work with 4-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

4'-Chlorobiphenyl-4-sulfonyl chloride20443-74-787 % similar (1,1'-Biphenyl)-4,4'-disulfonyl dichloride3406-84-665 % similar 6-Chloronaphthalene-2-sulfonyl chloride102153-63-964 % similar 3,5-Dichlorobenzenesulfonyl chloride705-21-560 % similar 4,4′-Dichlorodiphenyl sulfone80-07-958 % similar Benzenesulfonyl chloride98-09-958 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-158 % similar 4-Fluorobenzenesulfonyl chloride349-88-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorobenzenesulfonyl chloride2888-06-4 2-Chlorobenzenesulfonyl chloride2905-23-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook