[(Chloromethyl)sulfonyl]benzene

C₇H₇ClO₂SCAS 7205-98-3190.64 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: 53–55 °C
logP: 1.66Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

7205-98-3

SMILES

O=S(=O)(CCl)c1ccccc1

InChIKey

NXAIQSVCXQZNRY-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClO2S/c8-6-11(9,10)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

7 names

Benzene, [(chloromethyl)sulfonyl]-
Sulfone, chloromethyl phenyl
Phenyl chloromethyl sulfone
(Phenylsulfonyl)methyl chloride
Chloromethyl phenyl sulfone
NSC 41586
1-Chloromethylsulfonylbenzene

Work with [(Chloromethyl)sulfonyl]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 1-Chloro-4-(methylsulfonyl)benzene98-57-7 4-Toluenesulfonyl chloride98-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook