2-Chloroethyl 4-fluorophenyl sulfone

C₈H₈ClFO₂SCAS 33330-46-0222.66 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfone

Properties

Molecular formula: C₈H₈ClFO₂S
Molar mass: 222.66 g/mol
Exact mass: 221.9918 Da
logP: 1.84Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

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

Aggregated from 4 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

33330-46-0

SMILES

C1=CC(=CC=C1F)S(=O)(=O)CCCl

InChIKey

VOJIERKKDNYFCX-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClFO2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

1 names

1-(2-Chloroethanesulfonyl)-4-fluorobenzene

Work with 2-Chloroethyl 4-fluorophenyl sulfone

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)sulphonyl)benzene938-09-063 % similar 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-963 % similar (4-Fluorobenzenesulfonyl)acetonitrile32083-66-251 % similar 1-[(2-Chloroethyl)sulfonyl]-3-(trifluoromethyl)benzene175203-09-548 % similar 4-Fluorobenzenesulfonyl chloride349-88-247 % similar 4,4′-Difluorodiphenyl sulfone383-29-947 % similar 1-(2-Chloroethyl)-4-fluorobenzene332-43-445 % similar 2-(4-Fluorobenzenesulfonyl)acetamide oxime175203-76-644 % similar

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

Elsewhere

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