2-(1,3-Benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
[CAS# 902600-40-2]

Identification

• Name: 2-(1,3-Benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
• Synonyms: 2-BENZO[1,3]DIOXOL-5-YL-5-METHYL-3H-IMIDAZOLE-4-CARBOXYLICACID; ChemDiv3_010066; MLS000522985
• Molecular Formula: C₁₂H₁₀N₂O₄
• Molecular Weight: 246.22
• CAS Registry Number: 902600-40-2
• SMILES: CC1=C(N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)O
• InChI: 1S/C12H10N2O4/c1-6-10(12(15)16)14-11(13-6)7-2-3-8-9(4-7)18-5-17-8/h2-4H,5H2,1H3,(H,13,14)(H,15,16)
• InChIKey: MZHPZXDTAPQVDZ-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 548.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 285.8±30.1°C (Cal.)
• Refractive index: 1.659 (Cal.)