3-Chlorobenzoyl chloride

C₇H₄Cl₂OCAS 618-46-2175.01 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₄Cl₂O
Molar mass: 175.01 g/mol
Exact mass: 173.9639 Da
Melting point: 48–49 °C
Boiling point: 225 °C
logP: 2.72Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

618-46-2

SMILES

O=C(Cl)c1cccc(Cl)c1

InChIKey

WHIHIKVIWVIIER-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H

Weigh it out

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

Names and synonyms

4 names

Benzoyl chloride, 3-chloro-
Benzoyl chloride, m-chloro-
m-Chlorobenzoyl chloride
NSC 41886

Work with 3-Chlorobenzoyl 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

Isophthaloyl chloride99-63-875 % similar 3,5-Dichlorobenzoyl chloride2905-62-665 % similar 3-Fluorobenzoyl chloride1711-07-562 % similar 3-Bromobenzoyl chloride1711-09-762 % similar 3-Methylbenzoyl chloride1711-06-460 % similar 3-Iodobenzoyl chloride1711-10-060 % similar Benzoyl chloride98-88-458 % similar 3-Chlorobenzophenone1016-78-057 % similar

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

Same formula

3,5-Dichlorobenzaldehyde10203-08-4 4-Chlorobenzoyl chloride122-01-0 2-Chlorobenzoyl chloride609-65-4 3,4-Dichlorobenzaldehyde6287-38-3 2,3-Dichlorobenzaldehyde6334-18-5 2,5-Dichlorobenzaldehyde6361-23-5 2,6-Dichlorobenzaldehyde83-38-5 2,4-Dichlorobenzaldehyde874-42-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook