3-Bromo-4-fluorobenzoyl chloride

C₇H₃BrClFOCAS 672-75-3237.45 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₃BrClFO
Molar mass: 237.45 g/mol
Exact mass: 235.9040 Da
Melting point: 43–45 °C
logP: 2.97Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

672-75-3

SMILES

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

InChIKey

HPHZOCIBMCWXCQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrClFO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H

Weigh it out

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

Names and synonyms

1 names

Benzoyl chloride, 3-bromo-4-fluoro-

Work with 3-Bromo-4-fluorobenzoyl 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-Difluorobenzoyl chloride76903-88-368 % similar 3-Chloro-4-fluorobenzoyl chloride65055-17-662 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-460 % similar 3-Bromo-4-fluorobenzoic acid1007-16-560 % similar 4-Fluoro-3-methylbenzoyl chloride455-84-560 % similar 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-257 % similar 4-Fluoro-3-(trifluoromethyl)benzoyl chloride67515-56-457 % similar 3-Fluoro-4-methylbenzoyl chloride59189-97-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-fluorobenzoyl chloride111771-13-2 2-Chloro-4-bromo-5-fluorobenzaldehyde1214386-29-4 4-Bromo-2-fluorobenzoyl chloride151982-51-3

Elsewhere

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