1H-Imidazole-2,4-Dicarboxylic Acid
[CAS# 175874-61-0]

Identification

• Name: 1H-Imidazole-2,4-Dicarboxylic Acid
• Synonyms: 1H-Imidazole-2,4-dicarboxylicacid; 1H-IMIDAZOLE-2,5-DICARBOXYLICACID
• Molecular Formula: C₅H₄N₂O₄
• Molecular Weight: 156.10
• CAS Registry Number: 175874-61-0
• SMILES: C1=C(N=C(N1)C(=O)O)C(=O)O
• InChI: 1S/C5H4N2O4/c8-4(9)2-1-6-3(7-2)5(10)11/h1H,(H,6,7)(H,8,9)(H,10,11)
• InChIKey: ZUUNZDIGHGJBAR-UHFFFAOYSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Boiling point: 614.8±47.0°C at 760 mmHg (Cal.)
• Flash point: 325.6±29.3°C (Cal.)
• Refractive index: 1.683 (Cal.)

References

• (1): Yunling Liu, Victor Kravtsov, Rosa D. Walsh, Pankaj Poddar, Hariharan Srikanth and Mohamed Eddaoudi. Directed assembly of metal–organic cubes from deliberately predesigned molecular building blocks, Chem. Commun., 2004, 0, 2806.