1-Chloro-4-(methylsulfonyl)benzene

C₇H₇ClO₂SCAS 98-57-7190.64 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: 96 °C
logP: 1.74Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

98-57-7

SMILES

CS(=O)(=O)c1ccc(Cl)cc1

InChIKey

LMCOQDVJBWVNNI-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

11 names

Benzene, 1-chloro-4-(methylsulfonyl)-
Sulfone, p-chlorophenyl methyl
p-Chlorophenyl methyl sulfone
4-Chlorophenyl methyl sulfone
Methyl 4-chlorophenyl sulfone
Methyl p-chlorophenyl sulfone
(4-Chlorophenylsulfonyl)methane
4-(Methylsulfonyl)phenyl chloride
NSC 74456
4-Methylsulfonylbenzene chloride
1-Chloro-4-methanesulfonylbenzene

Work with 1-Chloro-4-(methylsulfonyl)benzene

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 Benzenemethanesulfonyl chloride1939-99-7 [(Chloromethyl)sulfonyl]benzene7205-98-3 4-Toluenesulfonyl chloride98-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook