(4-Chlorophenyl)methanesulfonyl chloride

C₇H₆Cl₂O₂SCAS 6966-45-6225.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆Cl₂O₂S
Molar mass: 225.08 g/mol
Exact mass: 223.9466 Da
Melting point: 90–91 °C
logP: 2.41Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed85.1% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

6966-45-6

SMILES

O=S(=O)(Cl)Cc1ccc(Cl)cc1

InChIKey

DBJRPJSDYFDWPV-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Cl2O2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2

Weigh it out

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

Names and synonyms

8 names

Benzenemethanesulfonyl chloride, 4-chloro-
α-Toluenesulfonyl chloride, p-chloro-
4-Chlorobenzenemethanesulfonyl chloride
(p-Chlorophenyl)methanesulfonyl chloride
p-Chlorobenzylsulfonyl chloride
4-Chlorobenzylsulfonyl chloride
NSC 18788
(4-Chlorophenyl)methanesulfonic acid chloride

Work with (4-Chlorophenyl)methanesulfonyl 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

Benzenemethanesulfonyl chloride1939-99-763 % similar (4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-962 % similar 4-Methylbenzylsulfonyl chloride51419-59-162 % similar 3,4-Dichlorophenylmethanesulfonyl chloride85952-30-358 % similar 4-Nitrobenzenemethanesulfonyl chloride4025-75-653 % similar 4-Chlorobenzenesulfonyl chloride98-60-243 % similar 4-Chlorobenzyl chloride104-83-643 % similar 4-Chlorobenzylamine104-86-941 % similar

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

Same formula

2-Chloro-p-toluenesulfochloride42413-03-6 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook