3-[(2-Methyl-1H-imidazol-4-yl)ethynyl]benzonitrile
[CAS# 808773-42-4]

Identification

• Name: 3-[(2-Methyl-1H-imidazol-4-yl)ethynyl]benzonitrile
• Synonyms: 3-((2-methyl-1H-imidazol-4-yl)ethynyl)benzonitrile
• Molecular Formula: C₁₃H₉N₃
• Molecular Weight: 207.23
• CAS Registry Number: 808773-42-4
• SMILES: Cc1[nH]c(cn1)C#Cc2cccc(c2)C#N
• InChI: 1S/C13H9N3/c1-10-15-9-13(16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3,(H,15,16)
• InChIKey: TYEDOEOSOPVADS-UHFFFAOYSA-N

Properties

• Density: 1.257g/cm³ (Cal.)
• Boiling point: 493.062°C at 760 mmHg (Cal.)
• Flash point: 154.181°C (Cal.)
• Refractive index: 1.644 (Cal.)