3-Nitrobiphenyl-4-Ylamine
[CAS# 4085-18-1]

Identification

• Name: 3-Nitrobiphenyl-4-Ylamine
• Synonyms: 2-Nitro-4-Phenyl-Aniline; (2-Nitro-4-Phenyl-Phenyl)Amine; 4-Phenyl-2-Nitroaniline
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.22
• CAS Registry Number: 4085-18-1
• EINECS: 223-813-4
• SMILES: C2=C(C1=CC=CC=C1)C=CC(=C2[N+]([O-])=O)N
• 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: 1.269g/cm³ (Cal.)
• Boiling point: 382.123°C at 760 mmHg (Cal.)
• Flash point: 184.901°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