2,6-Difluorobenzenesulfonyl chloride

C₆H₃ClF₂O₂SCAS 60230-36-6212.59 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 damage72.4% of notifiers

Aggregated from 58 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

60230-36-6

SMILES

O=S(=O)(Cl)c1c(F)cccc1F

InChIKey

QXWAUQMMMIMLTO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonyl chloride, 2,6-difluoro-
2,6-Difluorobenzene-1-sulfonyl chloride
2,6-Difluorophenylsulfonyl chloride

Work with 2,6-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

2-Fluorobenzenesulfonyl chloride2905-21-761 % similar 2,6-Dichlorobenzenesulfonylchloride6579-54-056 % similar 2,6-Difluorobenzenesulfonamide60230-37-752 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-048 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-148 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-348 % similar 3-Fluorobenzenesulfonyl chloride701-27-948 % similar 2,3,4,5,6-Pentafluorobenzenesulfonyl chloride832-53-148 % 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 3,5-Difluorobenzenesulfonyl chloride210532-25-5 2,5-Difluorobenzenesulfonyl chloride26120-86-5

Elsewhere

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