Benzenemethanesulfonyl chloride

C7H7ClO2SCAS 1939-99-7190.64 g/mol

Open in Covalent MOL file
OSOCl

Properties

Molecular formula
C7H7ClO2S
Molar mass
190.64 g/mol
Exact mass
189.9855 Da
Melting point
92 °C
logP
1.76Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 51 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
1939-99-7
SMILES
O=S(=O)(Cl)Cc1ccccc1
InChIKey
OAHKWDDSKCRNFE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2

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Names and synonyms

5 names
  • α-Toluenesulfonyl chloride
  • Phenylmethanesulfonyl chloride
  • Benzylsulfonyl chloride
  • Phenylmethylsulfonyl chloride
  • NSC 41894

Work with Benzenemethanesulfonyl 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-Chlorophenyl)methanesulfonyl chloride6966-45-663 % similar (4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-961 % similar 4-Methylbenzylsulfonyl chloride51419-59-161 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-756 % similar 3,4-Dichlorophenylmethanesulfonyl chloride85952-30-352 % similar 4-Nitrobenzenemethanesulfonyl chloride4025-75-652 % similar Alpha-(Methylsulphonyl)toluene3112-90-150 % similar PMSF329-98-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylbenzenesulfonyl chloride133-59-5 M-Toluenesulfonyl chloride1899-93-0 Ethyl 5-chlorothiophene-2-carboxylate5751-82-6 ((Chloromethyl)sulphonyl)benzene7205-98-3 1-Chloro-4-(methylsulfonyl)benzene98-57-7 4-Toluenesulfonyl chloride98-59-9

Elsewhere

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