4-Bromobenzoyl chloride

C₇H₄BrClOCAS 586-75-4219.46 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₄BrClO
Molar mass: 219.46 g/mol
Exact mass: 217.9134 Da
Melting point: 42 °C
Boiling point: 246 °C
logP: 2.83Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

586-75-4

SMILES

O=C(Cl)c1ccc(Br)cc1

InChIKey

DENKGPBHLYFNGK-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

Weigh it out

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

Names and synonyms

5 names

Benzoyl chloride, 4-bromo-
Benzoyl chloride, p-bromo-
p-Bromobenzoyl chloride
4-Bromo-1-benzenecarbonyl chloride
NSC 7091

Work with 4-Bromobenzoyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terephthaloyl chloride100-20-971 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-363 % similar 4-Chlorobenzoyl chloride122-01-058 % similar 4,4′-Dibromobenzil35578-47-356 % similar 4,4′-Dibromobenzophenone3988-03-256 % similar Benzoyl chloride98-88-456 % similar 4-Iodobenzoyl chloride1711-02-056 % similar 4-Fluorobenzoyl chloride403-43-056 % similar

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

Same formula

4-Bromo-3-chlorobenzaldehyde120077-69-2 3-Bromobenzoyl chloride1711-09-7 3-Bromo-5-chlorobenzaldehyde188813-05-0 5-Bromo-2-chlorobenzaldehyde189628-37-3 2-Bromobenzoyl chloride7154-66-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook