chempirical

2-Chlorobenzoyl chloride

C7H4Cl2OCAS 609-65-4175.01 g/mol

Open in Covalent MOL file
OClCl
Acyl halideAryl halide

Properties

Molecular formula
C7H4Cl2O
Molar mass
175.01 g/mol
Exact mass
173.9639 Da
Melting point
−4 °C
Boiling point
238 °C
logP
2.72Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
609-65-4
SMILES
O=C(Cl)c1ccccc1Cl
InChIKey
ONIKNECPXCLUHT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H

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Names and synonyms

4 names
  • Benzoyl chloride, 2-chloro-
  • Benzoyl chloride, o-chloro-
  • o-Chlorobenzoyl chloride
  • NSC 93897

Reactions

Work with 2-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

2,3-Dichlorobenzoyl chloride2905-60-470 % similar Phthaloyl chloride88-95-970 % similar 2,5-Dichlorobenzoyl chloride2905-61-562 % similar 2,4-Dichlorobenzoyl chloride89-75-862 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-562 % similar 2,6-Dichlorobenzoyl chloride4659-45-462 % similar 1-Naphthoyl chloride879-18-559 % similar 2-Bromobenzoyl chloride7154-66-757 % 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 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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