5-Chloro-2-fluorobenzenesulfonyl chloride

C6H3Cl2FO2SCAS 351003-49-1229.05 g/mol

Open in Covalent MOL file
OSOClClF
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 46 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
351003-49-1
SMILES
O=S(=O)(Cl)c1cc(Cl)ccc1F
InChIKey
OZKAHSNNKADHTK-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2FO2S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Benzenesulfonyl chloride, 5-chloro-2-fluoro-
  • 2-Fluoro-5-chlorobenzenesulfonyl chloride
  • 5-Chloro-2-fluorobenzene-1-sulfonyl chloride

Work with 5-Chloro-2-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

2,5-Difluorobenzenesulfonyl chloride26120-86-566 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-363 % similar 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-662 % similar 2,4,5-Trifluorobenzenesulfonyl chloride220227-21-458 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-358 % similar 2-Fluorobenzenesulfonyl chloride2905-21-756 % similar 5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-056 % similar 5-Chloro-2-methoxybenzenesulfonyl chloride22952-32-554 % 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 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-2 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-3

Elsewhere

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