4,4′-(1,2-Diazenediyl)bis[benzoic acid]

C14H10N2O4CAS 586-91-4270.24 g/mol

Open in Covalent MOL file
OHONNOOH
AzoCarboxylic acid

Properties

Molecular formula
C14H10N2O4
Molar mass
270.24 g/mol
Exact mass
270.0641 Da
Melting point
117 °C
logP
3.50Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
586-91-4
SMILES
O=C(O)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1
InChIKey
NWHZQELJCLSKNV-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 4,4′-(1,2-diazenediyl)bis-
  • Benzoic acid, 4,4′-azodi-
  • Benzoic acid, 4,4′-azobis-
  • Benzoic acid, p,p′-azodi-
  • 4,4′-Azobenzenedicarboxylic acid
  • 4,4′-Azobisbenzoic acid
  • 4,4′-Azodibenzoic acid

Work with 4,4′-(1,2-Diazenediyl)bis[benzoic acid]

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

p-Phenylazobenzoic acid1562-93-284 % similar Terephthalic acid100-21-071 % similar Tetrakis(4-carboxyphenyl)ethylene1351279-73-663 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-463 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-263 % similar Acedoben556-08-162 % similar (E)-5,5'-(Diazene-1,2-diyl)diisophthalic acid365549-33-362 % similar 4-Isothiocyanatobenzoic acid2131-62-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione145-49-3 4,4'-Dinitrostilbene2501-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook