Benzenesulfonyl chloride

C6H5ClO2SCAS 98-09-9176.61 g/mol

OSOCl

Properties

Molecular formula
C6H5ClO2S
Molar mass
176.61 g/mol
Exact mass
175.9699 Da
Density
1.3842 g/mL (at 15 °C)
Melting point
14.5 °C
Boiling point
120 °C (at 10 Torr)
Flash point
111.7 °C
logP
1.61Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 159 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P405, P501

Identifiers

CAS number
98-09-9
SMILES
O=S(=O)(Cl)c1ccccc1
InChIKey
CSKNSYBAZOQPLR-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

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Names and synonyms

5 names
  • Benzene sulfochloride
  • Benzenesulfonic chloride
  • Phenylsulfonyl chloride
  • NSC 2864
  • Benzene-1-sulfonyl chloride

Reactions

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Similar compounds

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

Same formula

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