2,2':6',2''-Terpyridin-4'(1'H)-One
[CAS# 128143-88-4]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Pyridine derivative
• Name: 2,2':6',2''-Terpyridin-4'(1'H)-One
• Synonyms: 1'H-[2,2',6',2'']Terpyridin-4'-one; 2,6-Bis(2-pyridyl)-4(1H)-pyridon; 2,6-bis-(2-pyridyl)-4(1H)-pyridone
• Molecular Formula: C₁₅H₁₁N₃O
• Molecular Weight: 249.27
• CAS Registry Number: 128143-88-4
• SMILES: C1=CC=NC(=C1)C2=CC(=O)C=C(N2)C3=CC=CC=N3
• InChI: 1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)
• InChIKey: HRORSVNZQWCZTD-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 505.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 259.5±30.1°C (Cal.)
• Refractive index: 1.641 (Cal.)

References

• (1): Gloria Agustí, Carlos Bartual, Víctor Martínez, Francisco J. Muñoz-Lara, Ana B. Gaspar, M. Carmen Muñoz and José A. Real. Polymorphism and “reverse” spin transition in the spin crossover system [Co(4-terpyridone)](CFSO)·1HO, New J. Chem., 2009, 33, 1262.