2-Bromo-5-methoxybenzoyl chloride

C8H6BrClO2CAS 56658-04-9249.49 g/mol

Open in Covalent MOL file
OBrOCl
Acyl halideAryl halideEther

Properties

Molecular formula
C8H6BrClO2
Molar mass
249.49 g/mol
Exact mass
247.9240 Da
Boiling point
156–158 °C (at 13 Torr)
logP
2.84Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 5 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
56658-04-9
SMILES
COc1ccc(Br)c(C(=O)Cl)c1
InChIKey
RZCQJXVXRYIJQE-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrClO2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3

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Names and synonyms

2 names
  • Benzoyl chloride, 2-bromo-5-methoxy-
  • 2-Bromo-5-methoxybenzene-1-carbonyl chloride

Work with 2-Bromo-5-methoxybenzoyl 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

2,5-Dimethoxybenzoyl chloride17918-14-867 % similar 2-Bromo-5-methoxybenzoic acid22921-68-263 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-363 % similar 2-Fluoro-4-methoxybenzoylchloride321-24-459 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-255 % similar 4-Methoxybenzoyl chloride100-07-253 % similar 2-Bromobenzoyl chloride7154-66-751 % similar 1-Bromo-2-chloro-4-methoxybenzene50638-46-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Alpha-Bromo-2-chlorobenzeneacetic acid141109-25-3 4-Bromo-2-chlorobenzoic acid methyl ester185312-82-7 Methyl 2-bromo-5-chlorobenzoate27007-53-0 Alpha-Bromo-2-chlorobenzeneacetic acid29270-30-2 Alpha-bromo-4-chlorophenylacetic acid3381-73-5 2-Bromo-4-chlorophenylacetic acid52864-56-9 Methyl 2-bromo-4-chlorobenzoate57381-62-1 3'-Bromo-5'-chloro-2'-hydroxyacetophenone59443-15-1

Elsewhere

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