4-Bromo-3-fluorobenzenesulfonyl chloride

C₆H₃BrClFO₂SCAS 351003-51-5273.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃BrClFO₂S
Molar mass: 273.50 g/mol
Exact mass: 271.8710 Da
logP: 2.52Crippen 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 damage80% of notifiers

Aggregated from 50 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

351003-51-5

SMILES

O=S(=O)(Cl)c1ccc(Br)c(F)c1

InChIKey

IZCXVIACMHTZNA-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrClFO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonyl chloride, 4-bromo-3-fluoro-
3-Fluoro-4-bromobenzenesulfonyl chloride
4-Bromo-3-fluorobenzene-1-sulfonyl chloride
4-Bromo-3-fluorobenzene sulphonyl chloride

Work with 4-Bromo-3-fluorobenzenesulfonyl 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-Difluorobenzenesulfonyl chloride145758-05-068 % similar 4-Bromo-3,5-difluorobenzenesulfonyl chloride518057-63-161 % similar 4-Bromo-3-fluorobenzene-1-sulfonamide263349-73-160 % similar 4-Bromo-3-methylbenzene-1-sulfonyl chloride72256-93-060 % similar 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-260 % similar 4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride351003-47-959 % similar 4-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-957 % similar 5-Bromo-2,4-difluorobenzenesulfonyl chloride287172-61-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-4 2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook