4-(5-Cyano-2-pyridinyl)benzoic acid
[CAS# 648898-11-7]

Identification

• Name: 4-(5-Cyano-2-pyridinyl)benzoic acid
• Synonyms: 4-(5-Cyan-2-pyridinyl)benzoesäure; 4-(5-Cyano-2-pyridinyl)benzoic acid; Acide 4-(5-cyano-2-pyridinyl)benzoïque
• Molecular Formula: C₁₃H₈N₂O₂
• Molecular Weight: 224.21
• CAS Registry Number: 648898-11-7
• SMILES: c1cc(ccc1c2ccc(cn2)C#N)C(=O)O
• InChI: 1S/C13H8N2O2/c14-7-9-1-6-12(15-8-9)10-2-4-11(5-3-10)13(16)17/h1-6,8H,(H,16,17)
• InChIKey: VDWDAPHWBRJBMV-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 449.2±40.0°C at 760 mmHg (Cal.)
• Flash point: 225.5±27.3°C (Cal.)
• Refractive index: 1.656 (Cal.)