4-Ethynyl-1,3-Dimethyl-1H-Pyrazole-5-Carboxylic Acid
[CAS# 243466-31-1]

Identification

• Name: 4-Ethynyl-1,3-Dimethyl-1H-Pyrazole-5-Carboxylic Acid
• Synonyms: 1H-PYRAZOLE-5-CARBOXYLICACID, 4-ETHYNYL-1,3-DIMETHYL-; 4-ethynyl-1,3-dimethyl-1H-pyrazole-5-carboxylic acid
• Molecular Formula: C₈H₈N₂O₂
• Molecular Weight: 164.16
• CAS Registry Number: 243466-31-1
• SMILES: Cc1c(c(n(n1)C)C(=O)O)C#C
• InChI: 1S/C8H8N2O2/c1-4-6-5(2)9-10(3)7(6)8(11)12/h1H,2-3H3,(H,11,12)
• InChIKey: KFNUADDFNDAJIQ-UHFFFAOYSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 330.022°C at 760 mmHg (Cal.)
• Flash point: 153.392°C (Cal.)
• Refractive index: 1.555 (Cal.)