2-(4-Cyanophenyl)-1H-Benzimidazole-5-Carboxylic Acid
[CAS# 175401-95-3]

Identification

• Name: 2-(4-Cyanophenyl)-1H-Benzimidazole-5-Carboxylic Acid
• Synonyms: 1H-BENZIMIDAZOLE-6-CARBOXYLICACID, 2-(4-CYANOPHENYL)-
• Molecular Formula: C₁₅H₉N₃O₂
• Molecular Weight: 263.25
• CAS Registry Number: 175401-95-3
• SMILES: C1=CC(=CC=C1C#N)C2=NC3=C(N2)C=C(C=C3)C(=O)O
• InChI: 1S/C15H9N3O2/c16-8-9-1-3-10(4-2-9)14-17-12-6-5-11(15(19)20)7-13(12)18-14/h1-7H,(H,17,18)(H,19,20)
• InChIKey: HRUUSKALOILBKF-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 595.6±56.0°C at 760 mmHg (Cal.)
• Flash point: 314.0±31.8°C (Cal.)
• Refractive index: 1.744 (Cal.)

Safety Data

• Safety Code: S26;S36/37;S60
• Risk Code: R22;R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates skin and eyes, harmful if swallowed