[3-(Methylsulfonyl)-5-phenyl-4H-1,2,4-triazol-4-yl]acetic acid
[CAS# 892874-30-5]

Identification

• Name: [3-(Methylsulfonyl)-5-phenyl-4H-1,2,4-triazol-4-yl]acetic acid
• Molecular Formula: C₁₁H₁₁N₃O₄S
• Molecular Weight: 281.29
• CAS Registry Number: 892874-30-5
• SMILES: CS(=O)(=O)c1nnc(n1CC(=O)O)c2ccccc2
• InChI: 1S/C11H11N3O4S/c1-19(17,18)11-13-12-10(14(11)7-9(15)16)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)
• InChIKey: KSVAMMCIUJYEPD-UHFFFAOYSA-N

Properties

• Density: 1.505g/cm³ (Cal.)
• Boiling point: 576.161°C at 760 mmHg (Cal.)
• Flash point: 302.252°C (Cal.)
• Refractive index: 1.665 (Cal.)