Benzenemethanesulfonyl chloride

C₇H₇ClO₂SCAS 1939-99-7190.64 g/mol

Open in Covalent MOL file

Halogen Sulfone

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

Weigh it out

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

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

Same formula

2-Methylbenzenesulfonyl chloride133-59-5 [(Chloromethyl)sulfonyl]benzene7205-98-3 1-Chloro-4-(methylsulfonyl)benzene98-57-7 4-Toluenesulfonyl chloride98-59-9

Elsewhere

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