2-Methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile
[CAS# 99445-26-8]

Identification

• Name: 2-Methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile
• Synonyms: (3,4'-Bipyridine)-5-carbonitrile, 1,6-dihydro-2-methyl-6-oxo-; (3,4'-Bipyridine)-5-carbonitrile, 6-dihydro-2-methyl-6-oxo-; 1,2-Dihydro-6-methyl-2-oxo-5-pyridin-4-ylnicotinonitrile
• Molecular Formula: C₁₂H₉N₃O
• Molecular Weight: 211.22
• CAS Registry Number: 99445-26-8
• SMILES: CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2
• InChI: 1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
• InChIKey: PZRHRDRVRGEVNW-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 448.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 225.2±28.7°C (Cal.)
• solubility: Soluble to 100 mM in DMSO

Safety Data

• Safety Description: IRRITANT

References

• (1): Guang-Jiu Zhao and Ke-Li Han. pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge transfer direction, Phys. Chem. Chem. Phys., 2010, 12, 8914.