((Chloromethyl)sulphonyl)benzene

C₇H₇ClO₂SCAS 7205-98-3190.64 g/mol

Open in Covalent MOL file

Alkyl halide 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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

8 names

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

Work with ((Chloromethyl)sulphonyl)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

Similar compounds

[(2-Chloroethyl)sulfonyl]benzene938-09-063 % similar Bis(phenylsulfonyl)methane3406-02-863 % similar Fluoromethyl phenyl sulfone20808-12-256 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-756 % similar (Ethylsulphonyl)benzene599-70-256 % similar (Phenylsulfonyl)acetonitrile7605-28-952 % similar (2-Propen-1-ylsulfonyl)benzene16212-05-850 % similar 2-(Benzenesulfonyl)acetamide35008-50-548 % 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 Benzenemethanesulfonyl chloride1939-99-7 Ethyl 5-chlorothiophene-2-carboxylate5751-82-6 1-Chloro-4-(methylsulfonyl)benzene98-57-7 4-Toluenesulfonyl chloride98-59-9

Elsewhere

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