4-Fluoro-2-(trifluoromethyl)-benzenesulfonyl chloride

C₇H₃ClF₄O₂SCAS 176225-09-5262.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃ClF₄O₂S
Molar mass: 262.60 g/mol
Exact mass: 261.9478 Da
logP: 2.77Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

176225-09-5

SMILES

C1=CC(=C(C=C1F)C(F)(F)F)S(=O)(=O)Cl

InChIKey

IGMYEVQPXWKFQF-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF4O2S/c8-15(13,14)6-2-1-4(9)3-5(6)7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride

Work with 4-Fluoro-2-(trifluoromethyl)-benzenesulfonyl chloride

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

4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride176225-10-869 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-860 % similar 2-(Trifluoromethyl)benzenesulfonyl chloride776-04-560 % similar 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-258 % similar 2,5-Bis(trifluoromethyl)benzenesulfonyl chloride351003-22-057 % similar 2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-757 % similar 4-Fluoro-2-methylbenzenesulfonyl chloride7079-48-357 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-556 % similar

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

Same formula

4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook