2,3,4-Trifluorobenzenesulfonyl chloride

C₆H₂ClF₃O₂SCAS 175278-08-7230.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂ClF₃O₂S
Molar mass: 230.59 g/mol
Exact mass: 229.9416 Da
Melting point: 122–124 °C
logP: 2.03Crippen 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
H318 Causes serious eye damage84.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

175278-08-7

SMILES

O=S(=O)(Cl)c1ccc(F)c(F)c1F

InChIKey

XFTDZYFHXRZLEF-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClF3O2S/c7-13(11,12)4-2-1-3(8)5(9)6(4)10/h1-2H

Weigh it out

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

Names and synonyms

2 names

Benzenesulfonyl chloride, 2,3,4-trifluoro-
2,3,4-Trifluorobenzene-1-sulfonyl chloride

Work with 2,3,4-Trifluorobenzenesulfonyl 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

2-Fluorobenzenesulfonyl chloride2905-21-755 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-855 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-555 % similar 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-055 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-053 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-153 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-451 % similar 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,5-Trifluorobenzenesulfonyl chloride220227-21-4 3,4,5-Trifluorobenzenesulfonyl chloride351003-43-5

Elsewhere

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