((2-Chloroethyl)sulphonyl)benzene

C₈H₉ClO₂SCAS 938-09-0204.67 g/mol

Open in Covalent MOL file

Alkyl halide Sulfone

Properties

Molecular formula: C₈H₉ClO₂S
Molar mass: 204.67 g/mol
Exact mass: 204.0012 Da
Melting point: 52 °C
Boiling point: 168–174 °C (at 7 Torr)
logP: 1.70Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed88.9% of notifiers
H311 Toxic in contact with skin88.9% of notifiers
H314 Causes severe skin burns and eye damage13.3% of notifiers
H331 Toxic if inhaled88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

938-09-0

SMILES

O=S(=O)(CCCl)c1ccccc1

InChIKey

NUJGORANFDSMOL-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2

Weigh it out

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

Names and synonyms

14 names · show all

[(2-Chloroethyl)sulfonyl]benzene
Benzene, [(2-chloroethyl)sulfonyl]-
Sulfone, 2-chloroethyl phenyl
2-(Phenylsulfonyl)ethyl chloride
2-Chloroethyl phenyl sulfone
Phenyl β-chloroethyl sulfone
β-Chloroethyl phenyl sulfone
2-Chloro-1-(phenylsulfonyl)ethane
1-Chloro-2-(phenylsulfonyl)ethane
(2-Chloroethanesulfonyl)benzene
NSC 145234
NSC 207409
NSC 236821
(2-Chloroethylsulfonyl)benzene

Work with ((2-Chloroethyl)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

1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-963 % similar 2-Chloroethyl 4-fluorophenyl sulfone33330-46-063 % similar ((Chloromethyl)sulphonyl)benzene7205-98-363 % similar Bis(phenylsulfonyl)methane3406-02-858 % similar 1-[(2-Chloroethyl)sulfonyl]-3-(trifluoromethyl)benzene175203-09-556 % similar Fluoromethyl phenyl sulfone20808-12-252 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-752 % similar (Ethylsulphonyl)benzene599-70-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Ethylbenzene-1-sulfonyl chloride16712-69-9 2,5-Dimethylbenzenesulfonyl chloride19040-62-1 3,5-Dimethylbenzenesulfonyl chloride2905-27-3 3,4-Dimethylbenzenesulfonyl chloride2905-30-8 P-(Methylsulfonyl)benzyl chloride40517-43-9 4-Methylbenzylsulfonyl chloride51419-59-1 2,4-Dimethylbenzenesulfonyl chloride609-60-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook