3,5-Difluorobenzenesulfonyl chloride

C6H3ClF2O2SCAS 210532-25-5212.59 g/mol

Open in Covalent MOL file
OSOClFF
Aryl halide

Properties

Molecular formula
C6H3ClF2O2S
Molar mass
212.59 g/mol
Exact mass
211.9510 Da
logP
1.89Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 51 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
210532-25-5
SMILES
O=S(=O)(Cl)c1cc(F)cc(F)c1
InChIKey
IIQKIICAOXAXEJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-2-4(8)1-5(9)3-6/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzenesulfonyl chloride, 3,5-difluoro-
  • 4-(3,5-Difluorophenylsulfonyl) chloride
  • 3,5-Difluorobenzene-1-sulfonyl chloride
  • 3,5-Difluorophenylsulfonyl chloride

Work with 3,5-Difluorobenzenesulfonyl 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

3-Fluorobenzenesulfonyl chloride701-27-967 % similar 4-Fluorobenzenesulfonyl chloride349-88-262 % similar 3,4,5-Trifluorobenzenesulfonyl chloride351003-43-557 % similar 4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride116748-66-455 % similar 4-Bromo-3,5-difluorobenzenesulfonyl chloride518057-63-153 % similar 3,5-Dichlorobenzenesulfonyl chloride705-21-552 % similar 3,5-Difluorobenzenesulfonamide140480-89-350 % similar 3,5-Dimethylbenzenesulfonyl chloride2905-27-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluorobenzenesulfonyl chloride13918-92-8 3,4-Difluorobenzenesulfonyl chloride145758-05-0 2,5-Difluorobenzenesulfonyl chloride26120-86-5 2,6-Difluorobenzenesulfonyl chloride60230-36-6

Elsewhere

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