2-Bromobenzoyl chloride

C7H4BrClOCAS 7154-66-7219.46 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
11 °C
Boiling point
243 °C
logP
2.83Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 48 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
7154-66-7
SMILES
O=C(Cl)c1ccccc1Br
InChIKey
NZCKTGCKFJDGFD-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H

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Names and synonyms

6 names
  • Benzoyl chloride, 2-bromo-
  • Benzoyl chloride, o-bromo-
  • o-Bromobenzoyl chloride
  • 2-Bromobenzoic acid chloride
  • NSC 73706
  • 2-Bromobenzene-1-carbonyl chloride

Work with 2-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

Phthaloyl chloride88-95-970 % similar 2-Chlorobenzoyl chloride609-65-457 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-256 % similar 2-Fluorobenzoyl chloride393-52-255 % similar 2-Iodobenzoyl chloride609-67-655 % similar 2-Methylbenzoyl chloride933-88-055 % similar 1-Naphthoyl chloride879-18-553 % similar 2′-Bromoacetophenone2142-69-052 % 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 4-Bromobenzoyl chloride586-75-4 2-Bromo-6-chlorobenzaldehyde64622-16-8

Elsewhere

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