N-Phenyl-1,4-Benzenediamine
[CAS# 16072-57-4]

Identification

• Name: N-Phenyl-1,4-Benzenediamine
• Synonyms: N-(4-Aminophenyl)aniline; (4-Aminophenyl)phenylamine; 1,4-Benzenediamine, N-phenyl-
• Molecular Formula: C₁₂H₁₂N₂
• Molecular Weight: 184.24
• CAS Registry Number: 16072-57-4
• SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N
• InChI: 1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
• InChIKey: ATGUVEKSASEFFO-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 74°C (Expl.)
• Boiling point: 354°C (Expl.)
• Flash point: 193°C (Expl.)
• Refractive index: 1.684 (Cal.)

Safety Data

• Safety Code: S24;S26;S37;S61
• Risk Code: R22;R36/37/38;R43;R51/53
• Hazard Symbol: X;N
• Transport Information: UN3077
• Safety Description: Safety glasses, adequate ventilation.

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370