4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride

C₇H₃ClF₄O₂SCAS 1682-10-6262.60 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

H290 May be corrosive to metals14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

1682-10-6

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)F

InChIKey

AYOKQWBPSUHEQU-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF4O2S/c8-15(13,14)4-1-2-6(9)5(3-4)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-3-(trifluoromethyl)benzenesulphonyl chloride

Work with 4-Fluoro-3-(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-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride32333-53-267 % similar 4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride351003-47-965 % similar 3,4-Difluorobenzenesulfonyl chloride145758-05-064 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-358 % similar 4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride39234-83-857 % similar 4-Fluoro-3-methylbenzenesulfonyl chloride629672-19-157 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-654 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-553 % similar

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

Same formula

4-Fluoro-2-(trifluoromethyl)-benzenesulfonyl chloride176225-09-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook