1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-1H-Benzimidazole-5-Carboxylic Acid
[CAS# 400653-36-3]

Identification

• Name: 1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-1H-Benzimidazole-5-Carboxylic Acid
• Synonyms: 1-BOC-benzimidazole-5-carboxilic acid
• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.26
• CAS Registry Number: 400653-36-3
• SMILES: CC(C)(C)OC(=O)N1C=NC2=C1C=CC(=C2)C(=O)O
• InChI: 1S/C13H14N2O4/c1-13(2,3)19-12(18)15-7-14-9-6-8(11(16)17)4-5-10(9)15/h4-7H,1-3H3,(H,16,17)
• InChIKey: MPAMHQFFPPHEQK-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 154°C (Expl.)
• Boiling point: 446.1±37.0°C at 760 mmHg (Cal.)
• Flash point: 223.6±26.5°C (Cal.)
• Refractive index: 1.593 (Cal.)