(4-Phenylphenyl) Pyrazine-2-Carboxylate
[CAS 132172-95-3]

Identification

• Name: (4-Phenylphenyl) Pyrazine-2-Carboxylate
• Synonyms: 2-Pyrazinecarboxylic Acid (4-Phenylphenyl) Ester; Pyrazinic Acid (4-Phenylphenyl) Ester; 4-Biphenylyl Pyrazinoate
• Molecular Formula: C₁₇H₁₂N₂O₂
• Molecular Weight: 276.29
• CAS Registry Number: 132172-95-3
• SMILES: C2=C(C1=CC=CC=C1)C=CC(=C2)OC(C3=CN=CC=N3)=O
• InChI: 1S/C17H12N2O2/c20-17(16-12-18-10-11-19-16)21-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
• InChIKey: DZGWFELKBYEJSF-UHFFFAOYSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 456.044°C at 760 mmHg (Cal.)
• Flash point: 229.607°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