4'-Nitro-[1,1'-Biphenyl]-4-Amine
[CAS 1211-40-1]

Identification

• Name: 4'-Nitro-[1,1'-Biphenyl]-4-Amine
• Synonyms: 4-(4-Nitrophenyl)Aniline; 4-(4-Aminophenyl)-N,N-Dihydroxy-Aniline; [4-(4-Aminophenyl)Phenyl]-Dihydroxy-Amine
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.22
• CAS Registry Number: 1211-40-1
• SMILES: C2=C(C1=CC=C(N)C=C1)C=CC(=C2)[N+](=O)[O-]
• InChI: 1S/C12H10N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H,13H2
• InChIKey: BOFVBIYTBGDQGY-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Melting point: 204°C (Expl.)
• Boiling point: 388.73°C at 760 mmHg (Cal.)
• Flash point: 188.897°C (Cal.)

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