5-Bromo-2,4-difluorobenzenesulfonyl chloride

C₆H₂BrClF₂O₂SCAS 287172-61-6291.49 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂BrClF₂O₂S
Molar mass: 291.49 g/mol
Exact mass: 289.8615 Da
logP: 2.65Crippen 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 3 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

287172-61-6

SMILES

C1=C(C(=CC(=C1F)Br)S(=O)(=O)Cl)F

InChIKey

GSNAPAYUOACKRN-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrClF2O2S/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

1 names

5-Bromo-2,4-difluorobenzenesulphonyl chloride

Work with 5-Bromo-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 chloride220227-21-469 % similar 5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-061 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-457 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-557 % similar 2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-753 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-851 % similar 2,5-Dibromobenzenesulfonyl chloride23886-64-851 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-9 2-Bromo-4,6-difluorobenzenesulfonyl chloride351003-42-4 4-Bromo-3,5-difluorobenzenesulfonyl chloride518057-63-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook