2-(3-benzyl-1H-1,2,4-triazol-5-yl)acetic acid
[CAS# 885281-04-9]

Identification

• Name: 2-(3-benzyl-1H-1,2,4-triazol-5-yl)acetic acid
• Synonyms: (5-BENZYL-4H-[1,2,4]TRIAZOL-3-YL)-ACETICACID; 1H-1,2,4-Triazole-5-acetic acid, 3-(phenylmethyl)-; 2-(3-Benzyl-1H-1,2,4-triazol-5-yl)acetic acid
• Molecular Formula: C₁₁H₁₁N₃O₂
• Molecular Weight: 217.22
• CAS Registry Number: 885281-04-9
• SMILES: c1ccc(cc1)Cc2nc([nH]n2)CC(=O)O
• InChI: 1S/C11H11N3O2/c15-11(16)7-10-12-9(13-14-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)(H,12,13,14)
• InChIKey: UGZFNTSAGLRUGP-UHFFFAOYSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 516.674°C at 760 mmHg (Cal.)
• Flash point: 266.275°C (Cal.)
• Refractive index: 1.63 (Cal.)