3-Chloro-2-fluorobenzenesulfonyl chloride

C6H3Cl2FO2SCAS 351003-48-0229.05 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 47 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
351003-48-0
SMILES
O=S(=O)(Cl)c1cccc(Cl)c1F
InChIKey
LIRQNYQIFFLGIE-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2FO2S/c7-4-2-1-3-5(6(4)9)12(8,10)11/h1-3H

Weigh it out

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Names and synonyms

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

Work with 3-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-Chlorobenzenesulfonyl chloride2905-23-966 % similar 2,3-Dichlorobenzenesulfonyl chloride82417-45-661 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-658 % similar 2,3,4-Trifluorobenzenesulfonyl chloride175278-08-755 % similar 2-Chloro-4,5-difluorobenzenesulfonyl chloride67475-58-555 % similar 1,2-Benzenedisulfonyl dichloride6461-76-354 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-453 % similar 2,6-Dichlorobenzenesulfonylchloride6579-54-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-0 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-1 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-2 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-3

Elsewhere

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