4-Bromobenzoyl chloride

C7H4BrClOCAS 586-75-4219.46 g/mol

Open in Covalent MOL file
OClBr
Acyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 64 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
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

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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 4-Bromo-2-chlorobenzaldehyde158435-41-7 3-Bromobenzoyl chloride1711-09-7 2-Bromo-5-chlorobenzaldehyde174265-12-4 3-Bromo-5-chlorobenzaldehyde188813-05-0 5-Bromo-2-chlorobenzaldehyde189628-37-3 2-Bromo-6-chlorobenzaldehyde64622-16-8 2-Bromobenzoyl chloride7154-66-7

Elsewhere

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