Benzidine

C₁₂H₁₂N₂CAS 92-87-5184.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂N₂
Molar mass: 184.24 g/mol
Exact mass: 184.1000 Da
Density: 1.25 g/mL (at 20 °C)
Melting point: 120 °C
Boiling point: 401 °C
pKa: 3.3, 4.3
Water solubility: 322 mg/L
logP: 2.52Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H350 May cause cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-042-00-2), via PubChem.

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

Identifiers

CAS number

92-87-5

SMILES

Nc1ccc(-c2ccc(N)cc2)cc1

InChIKey

HFACYLZERDEVSX-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2

Weigh it out

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

Names and synonyms

16 names · show all

[1,1′-Biphenyl]-4,4′-diamine
4,4′-Biphenyldiamine
C.I. Azoic diazo component 112
4,4′-Diaminobiphenyl
p-Diaminodiphenyl
4,4′-Diphenylenediamine
Fast corinth base B
4,4′-Bianiline
4,4′-Diaminodiphenyl
p,p′-Diaminobiphenyl
p,p′-Bianiline
4,4′-Diamino-1,1′-biphenyl
4′-Amino-[1,1′-biphenyl]-4-ylamine
4-(4-Aminophenyl)aniline
NSC 146476
4,4′-Diaminobenzidine

Work with Benzidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

[1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-1Salt

Similar compounds

4,4''-Diaminoterphenyl3365-85-3100 % similar 1,3,5-Tri(4-aminophenyl)benzene118727-34-780 % similar P-Phenylenediamine106-50-375 % similar 4-Amino-P-terphenyl7293-45-075 % similar 4-Aminobiphenyl92-67-175 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-867 % similar 4-Amino-4'-chlorodiphenyl135-68-267 % similar 4′-Fluoro[1,1′-biphenyl]-4-amine324-93-667 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Aminodiphenylamine101-54-2 4,4′-Dimethyl-2,2′-bipyridine1134-35-6 Hydrazobenzene122-66-7 5,5′-Dimethyl-2,2′-bipyridine1762-34-1 4-(4-Pyridylmethyl)aniline27692-74-6 4-tert-Butylphthalonitrile32703-80-3 N-Phenyl-2-pyridinemethanamine4329-81-1 6,6'-Bi-2-picoline4411-80-7

Elsewhere

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