1H-Imidazole-5-aceticacid (645-65-8)

The Imidazole-4-acetic acid, with the CAS registry number 645-65-8, is also known as 4-Imidazoleacetic acid and Imidazoleacetic acid (VAN). It belongs to the product category of Imidaxoles. This chemical's molecular formula is C₅H₆N₂O₂ and molecular weight is 126.11. Its IUPAC name and systematic name are the same which is called 2-(1H-imidazol-5-yl)acetic acid.

Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 65.98 Å²; (9)Index of Refraction: 1.591; (10)Molar Refractivity: 29.891 cm³; (11)Molar Volume: 88.423 cm³; (12)Surface Tension: 74.087 dyne/cm; (13)Density: 1.426 g/cm³; (14)Flash Point: 224.345 °C; (15)Enthalpy of Vaporization: 74.367 kJ/mol; (16)Boiling Point: 447.343 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

Uses of Imidazole-4-acetic acid: it can be used to produce [1-(2,4-dinitro-phenyl)-1H-imidazol-4-yl]-acetic acid. This reaction will need reagent sodium bicarbonate and solvent dimethylformamide. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(NC=N1)CC(=O)O
(2)InChI: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
(3)InChIKey: PRJKNHOMHKJCEJ-UHFFFAOYSA-N