5-Chloro-2,4-difluorobenzenesulfonyl chloride

C₆H₂Cl₂F₂O₂SCAS 13656-57-0247.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂Cl₂F₂O₂S
Molar mass: 247.04 g/mol
Exact mass: 245.9121 Da
Boiling point: 97–98 °C (at 3.5 Torr)
logP: 2.55Crippen 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
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

13656-57-0

SMILES

O=S(=O)(Cl)c1cc(Cl)c(F)cc1F

InChIKey

XMNXVDULKLCZFG-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2F2O2S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2H

Weigh it out

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

Names and synonyms

5 names

Benzenesulfonyl chloride, 5-chloro-2,4-difluoro-
5-Chloro-2,4-difluorophenylsulfonyl chloride
2,4-Difluoro-5-chlorobenzenesulfonyl chloride
5-Chloro-2,4-difluorobenzene-1-sulfonyl chloride
5-Chloro-2,4-difluorobenzenesulphonyl chloride

Work with 5-Chloro-2,4-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

2,4,5-Trifluorobenzenesulfonyl chloride220227-21-471 % similar 5-Bromo-2,4-difluorobenzenesulfonyl chloride287172-61-661 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-057 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-056 % similar 4-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-956 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-156 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-356 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4,5-difluorobenzenesulfonyl chloride67475-58-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook