chempirical

4-Phenylazobenzoyl chloride

C13H9ClN2OCAS 104-24-5244.68 g/mol

Open in Covalent MOL file
OClNN
Acyl halideAzo

Properties

Molecular formula
C13H9ClN2O
Molar mass
244.68 g/mol
Exact mass
244.0403 Da
Melting point
94.5–95.5 °C
logP
4.48Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
104-24-5
SMILES
O=C(Cl)c1ccc(N=Nc2ccccc2)cc1
InChIKey
RYMHZBAYPLCCAC-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClN2O/c14-13(17)10-6-8-12(9-7-10)16-15-11-4-2-1-3-5-11/h1-9H

Weigh it out

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

Names and synonyms

8 names
  • Benzoyl chloride, 4-(2-phenyldiazenyl)-
  • Benzoyl chloride, p-(phenylazo)-
  • Benzoyl chloride, 4-(phenylazo)-
  • 4-(2-Phenyldiazenyl)benzoyl chloride
  • p-(Phenylazo)benzoyl chloride
  • NSC 7955
  • 4-(Chlorocarbonyl)azobenzene
  • p-Phenylazobenzoyl chloride

Reactions

Work with 4-Phenylazobenzoyl 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

Benzoyl chloride98-88-465 % similar [1,1′-Biphenyl]-4-carbonyl chloride14002-51-862 % similar Terephthaloyl chloride100-20-960 % similar p-Phenylazobenzoic acid1562-93-256 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-354 % similar 4-Chlorobenzoyl chloride122-01-050 % similar 4-(Benzyloxy)benzoyl chloride1486-50-649 % similar 2-Naphthoyl chloride2243-83-648 % similar

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

Same formula

8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one50892-62-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook