3-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid
[CAS# 81303-57-3]

Identification

• Name: 3-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid
• Synonyms: 3-cyano-1-methyl-1H-pyrazole-4-carboxylic acid
• Molecular Formula: C₆H₅N₃O₂
• Molecular Weight: 151.12
• CAS Registry Number: 81303-57-3
• SMILES: O=C(O)c1cn(C)nc1C#N
• InChI: 1S/C6H5N3O2/c1-9-3-4(6(10)11)5(2-7)8-9/h3H,1H3,(H,10,11)
• InChIKey: HFYDTSLHFPSOJS-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 401.885°C at 760 mmHg (Cal.)
• Flash point: 196.853°C (Cal.)