chempirical

3,4,5-Trifluorobenzenesulfonyl chloride

C6H2ClF3O2SCAS 351003-43-5230.59 g/mol

Open in Covalent MOL file
FFFSOOCl
Aryl halide

Properties

Molecular formula
C6H2ClF3O2S
Molar mass
230.59 g/mol
Exact mass
229.9416 Da
logP
2.03Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
351003-43-5
SMILES
C1=C(C=C(C(=C1F)F)F)S(=O)(=O)Cl
InChIKey
HSEHKULCGSMHAE-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClF3O2S/c7-13(11,12)3-1-4(8)6(10)5(9)2-3/h1-2H

Weigh it out

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

Work with 3,4,5-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

4-Bromo-3,5-difluorobenzenesulfonyl chloride518057-63-166 % similar 3,4-Difluorobenzenesulfonyl chloride145758-05-062 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-557 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-555 % similar 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-255 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-352 % similar 4-Fluoro-3-methylbenzenesulfonyl chloride629672-19-150 % similar 3,5-Dichlorobenzenesulfonyl chloride705-21-548 % similar

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

Same formula

2,3,4-Trifluorobenzenesulfonyl chloride175278-08-7 2,4,5-Trifluorobenzenesulfonyl chloride220227-21-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook