2-Chloro-4-fluorobenzenesulfonyl chloride

C6H3Cl2FO2SCAS 85958-57-2229.05 g/mol

Open in Covalent MOL file
FClSOOCl
Aryl halide

Properties

Molecular formula
C6H3Cl2FO2S
Molar mass
229.05 g/mol
Exact mass
227.9215 Da
logP
2.41Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 47 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
85958-57-2
SMILES
C1=CC(=C(C=C1F)Cl)S(=O)(=O)Cl
InChIKey
FCFPJKHVCHKCMP-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2FO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H

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Names and synonyms

1 names
  • 2-Chloro-4-fluorobenzene-1-sulfonyl chloride

Work with 2-Chloro-4-fluorobenzenesulfonyl 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

2,4-Difluorobenzenesulfonyl chloride13918-92-866 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-363 % similar 2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-762 % similar 4-Fluoro-2-methylbenzenesulfonyl chloride7079-48-362 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-561 % similar 4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-659 % similar 2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-54-658 % similar 4-Fluoro-2-(trifluoromethyl)-benzenesulfonyl chloride176225-09-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-0 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-0 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-1 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-3

Elsewhere

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