2-Phenyl-1H-Imidazole-4,5-Dicarboxylic Acid
[CAS# 888-60-8]

Identification

• Name: 2-Phenyl-1H-Imidazole-4,5-Dicarboxylic Acid
• Synonyms: Nci60_004091; Nci4623; 2-Phenyl-1H-Imidazole-4,5-Dicarboxylic Acid
• Molecular Formula: C₁₁H₈N₂O₄
• Molecular Weight: 232.20
• CAS Registry Number: 888-60-8
• SMILES: C2=C(C1=NC(=C(C(O)=O)[NH]1)C(O)=O)C=CC=C2
• InChI: 1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)
• InChIKey: GTYWKHXMYZVFSU-UHFFFAOYSA-N

Properties

• Density: 1.534g/cm³ (Cal.)
• Boiling point: 603.976°C at 760 mmHg (Cal.)
• Flash point: 319.074°C (Cal.)

References

• (1): Wen-Yue Wang, Ze-Li Yang, Cheng-Jie Wang, Hui-Jie Lu, Shuang-Quan Zang and Gang Li. 2-Phenyl-4,5-imidazole dicarboxylate-based metal–organic frameworks assembled under hydro(solvo)thermal conditions, CrystEngComm, 2011, 13, 4895.