chempirical

4,4′-Biphenyldicarbonyl chloride

C14H8Cl2O2CAS 2351-37-3279.12 g/mol

Open in Covalent MOL file
OClOCl
Acyl halide

Properties

Molecular formula
C14H8Cl2O2
Molar mass
279.12 g/mol
Exact mass
277.9901 Da
Melting point
181–182 °C
logP
4.11Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2351-37-3
SMILES
O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1
InChIKey
QDBOAKPEXMMQFO-UHFFFAOYSA-N
InChI
InChI=1S/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H

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Names and synonyms

13 names · show all
  • [1,1′-Biphenyl]-4,4′-dicarbonyl dichloride
  • p-Biphenylenedicarbonyl chloride
  • 4,4′-Bis(chloroformyl)biphenyl
  • Diphenyl-4,4′-dicarboxylic acid chloride
  • 4,4′-Bibenzoyl chloride
  • p,p′-Bis(chlorocarbonyl)biphenyl
  • 4,4′-Biphenyldicarbonyl dichloride
  • 4,4′-Biphenyldicarboxyl chloride
  • 4,4′-Bis(chlorocarbonyl)-1,1′-biphenyl
  • 4,4′-Biphenyldicarboxylic dichloride
  • 4,4′-Dibenzoyl chloride
  • 4BPAC
  • 4,4′-Diphenyldicarboxylic acid dichloride

Work with 4,4′-Biphenyldicarbonyl 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

Terephthaloyl chloride100-20-983 % similar [1,1′-Biphenyl]-4-carbonyl chloride14002-51-882 % similar 4-Chlorobenzoyl chloride122-01-065 % similar Benzoyl chloride98-88-464 % similar 4-Iodobenzoyl chloride1711-02-063 % similar 4-Fluorobenzoyl chloride403-43-063 % similar 4-Bromobenzoyl chloride586-75-463 % similar 4,4′-Oxydibenzoyl chloride7158-32-963 % similar

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

Same formula

1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-5 4,4′-Dichlorobenzil3457-46-3

Elsewhere

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