4-Bromo-3,5-difluorobenzenesulfonyl chloride

C₆H₂BrClF₂O₂SCAS 518057-63-1291.49 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 irritation50% of notifiers

Aggregated from 2 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

518057-63-1

SMILES

O=S(=O)(Cl)c1cc(F)c(Br)c(F)c1

InChIKey

QCESOQYTNNRNNY-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrClF2O2S/c7-6-4(9)1-3(2-5(6)10)13(8,11)12/h1-2H

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonyl chloride, 4-bromo-3,5-difluoro-
4-Bromo-3,5-difluorobenzene-1-sulfonyl chloride
4-Bromo-3,5-difluorobenzenesulphonyl chloride

Work with 4-Bromo-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

3,4,5-Trifluorobenzenesulfonyl chloride351003-43-566 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-561 % similar 3,4-Difluorobenzenesulfonyl chloride145758-05-058 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-553 % similar 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-251 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-349 % similar 3,5-Dimethylbenzenesulfonyl chloride2905-27-348 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-9 5-Bromo-2,4-difluorobenzenesulfonyl chloride287172-61-6 2-Bromo-4,6-difluorobenzenesulfonyl chloride351003-42-4

Elsewhere

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