2-Bromo-4-fluorobenzene-1-sulfonyl chloride

C₆H₃BrClFO₂SCAS 351003-45-7273.50 g/mol

Open in Covalent MOL file

Aryl halide

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

H226 Flammable liquid and vapor93.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

351003-45-7

SMILES

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

InChIKey

GJPWPFVLPNTOOL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Bromo-4-fluorobenzenesulfonyl chloride

Work with 2-Bromo-4-fluorobenzene-1-sulfonyl 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-Difluorobenzenesulfonyl chloride13918-92-864 % similar 2,4-Dibromobenzenesulfonyl chloride72256-95-264 % similar 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-262 % similar 2-Bromo-4-fluorobenzenesulfonamide351003-60-660 % similar 4-Fluoro-2-methylbenzenesulfonyl chloride7079-48-360 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-459 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-559 % similar 4-Fluoro-2-(trifluoromethyl)-benzenesulfonyl chloride176225-09-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-4 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook