p-Phenylazobenzoic acid

C₁₃H₁₀N₂O₂CAS 1562-93-2226.24 g/mol

Open in Covalent MOL file

Azo Carboxylic acid

Properties

Molecular formula: C₁₃H₁₀N₂O₂
Molar mass: 226.24 g/mol
Exact mass: 226.0742 Da
logP: 3.80Crippen estimate
Polar surface area: 62.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1562-93-2

SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O

InChIKey

CSPTZWQFHBVOLO-UHFFFAOYSA-N

InChI

InChI=1S/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)

Weigh it out

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Names and synonyms

17 names · show all

4-Phenyldiazenylbenzoic acid
4-Phenylazobenzoic acid
4-Carboxyazobenzene
Azobenzene-4-carboxylic acid
Benzoic acid, p-(phenylazo)-
Benzoic acid, 4-(2-phenyldiazenyl)-
4-(2-Phenyldiazenyl)benzoic acid
4Carboxyazobenzene
pPhenylazobenzoic acid
4(Phenylazo)benzoic acid
Azobenzene4carboxylic acid
Benzoic acid, p(phenylazo)
Benzoic acid, 4(phenylazo)
Benzoic acid, 4(2phenyldiazenyl)
Benzoic acid, 4-(phenylazo)-
Azoic acid
4-(Phenyldiazenyl)benzoic acid

Reactions

p-PHENYLAZOBENZOIC ACID (Benzoic acid, p-phenylazo-)product

Work with p-Phenylazobenzoic 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

4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-484 % similar Benzoic acid65-85-065 % similar 4-(1,2,2-Triphenyl vinyl)benzoic acid197153-87-062 % similar (1,1'-Biphenyl)-4-carboxylic acid92-92-262 % similar Terephthalic acid100-21-060 % similar 4-Benzoylbenzoic acid611-95-060 % similar Ammonium benzoate1863-63-459 % similar 4-Phenoxybenzoic acid2215-77-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Di(2-pyridyl)-1,3-propanedione10198-89-7

Elsewhere

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