3,4-Difluorobenzenesulfonyl chloride

C₆H₃ClF₂O₂SCAS 145758-05-0212.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃ClF₂O₂S
Molar mass: 212.59 g/mol
Exact mass: 211.9510 Da
logP: 1.89Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage83.3% of notifiers

Aggregated from 48 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

145758-05-0

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)F)F

InChIKey

FSGLUBQENACWCC-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF2O2S/c7-12(10,11)4-1-2-5(8)6(9)3-4/h1-3H

Weigh it out

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

Names and synonyms

1 names

3,4-Difluorobenzene-1-sulfonyl chloride

Work with 3,4-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-Chloro-4-fluorobenzenesulphonyl chloride91170-93-370 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-568 % similar 4-Fluoro-3-methylbenzenesulfonyl chloride629672-19-168 % similar 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-268 % similar 4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-664 % similar 3,4,5-Trifluorobenzenesulfonyl chloride351003-43-562 % similar 3-Cyano-4-fluorobenzenesulfonyl chloride351003-23-162 % similar 5-(Chlorosulphonyl)-2-fluorobenzoic acid37098-75-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluorobenzenesulfonyl chloride13918-92-8 3,5-Difluorobenzenesulfonyl chloride210532-25-5 2,5-Difluorobenzenesulfonyl chloride26120-86-5 2,6-Difluorobenzenesulfonyl chloride60230-36-6

Elsewhere

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