4-Chlorobenzoyl chloride

C₇H₄Cl₂OCAS 122-01-0175.01 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: 16 °C
Boiling point: 222 °C
logP: 2.72Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

122-01-0

SMILES

O=C(Cl)c1ccc(Cl)cc1

InChIKey

RKIDDEGICSMIJA-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2O/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-chloro-
Benzoyl chloride, p-chloro-
p-Chlorobenzoyl chloride
4-Chlorobenzoic acid chloride
Para-Chlorobenzoyl chloride

Work with 4-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

Terephthaloyl chloride100-20-975 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-365 % similar 3,5-Dichlorobenzoyl chloride2905-62-660 % similar 4,4′-Dichlorobenzil3457-46-358 % similar 4,4'-Dichlorobenzophenone90-98-258 % similar Benzoyl chloride98-88-458 % similar 4-Iodobenzoyl chloride1711-02-058 % similar 4-Fluorobenzoyl chloride403-43-058 % similar

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

Same formula

3,5-Dichlorobenzaldehyde10203-08-4 2-Chlorobenzoyl chloride609-65-4 3-Chlorobenzoyl chloride618-46-2 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

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