2,4,5-Trifluorobenzenesulfonyl chloride

C₆H₂ClF₃O₂SCAS 220227-21-4230.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂ClF₃O₂S
Molar mass: 230.59 g/mol
Exact mass: 229.9416 Da
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 damage20.8% of notifiers

Aggregated from 48 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

220227-21-4

SMILES

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

InChIKey

STCZWXXRRTWRSK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,4,5-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

5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-071 % similar 4-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-969 % similar 5-Bromo-2,4-difluorobenzenesulfonyl chloride287172-61-669 % similar 2-Chloro-4,5-difluorobenzenesulfonyl chloride67475-58-568 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-860 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-560 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-058 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-158 % similar

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

Same formula

2,3,4-Trifluorobenzenesulfonyl chloride175278-08-7 3,4,5-Trifluorobenzenesulfonyl chloride351003-43-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook