3-Nitro-4-Biphenylamine
[CAS# 14318-64-0]

Identification

• Name: 3-Nitro-4-Biphenylamine
• Synonyms: 3-nitro-1,1'-biphenyl-4-amine; 3-nitrobiphenyl-4-ylamine; 3-Nitro-biphenyl-4-ylamine
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.22
• CAS Registry Number: 14318-64-0
• SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)N)[N+](=O)[O-]
• InChI: 1S/C12H10N2O2/c13-11-7-6-10(8-12(11)14(15)16)9-4-2-1-3-5-9/h1-8H,13H2
• InChIKey: MQDYZYVWFUIEQU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 382.1±30.0°C at 760 mmHg (Cal.)
• Flash point: 184.9±24.6°C (Cal.)
• Refractive index: 1.651 (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