3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-2-methylpropanoic acid
[CAS# 842977-00-8]

Identification

• Name: 3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-2-methylpropanoic acid
• Synonyms: 3-(3,5-dimethyl(1,2,4-triazolyl))-2-methylpropanoic acid; 3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-2-methyl-propionic acid; 3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-2-methyl-propionicacid
• Molecular Formula: C₈H₁₃N₃O₂
• Molecular Weight: 183.21
• CAS Registry Number: 842977-00-8
• SMILES: Cc1nc(n(n1)CC(C)C(=O)O)C
• InChI: 1S/C8H13N3O2/c1-5(8(12)13)4-11-7(3)9-6(2)10-11/h5H,4H2,1-3H3,(H,12,13)
• InChIKey: XQMOIKPHHLOTEA-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 400.6±47.0°C at 760 mmHg (Cal.)
• Flash point: 196.1±29.3°C (Cal.)
• Refractive index: 1.577 (Cal.)

Safety Data

• Safety Description: IRRITANT