1H-Pyrazole-3-carboxylic acid
[CAS 855643-75-3]

Identification

• Name: 1H-Pyrazole-3-carboxylic acid
• Synonyms: 1H-Pyrazole-5-carboxylic acid #; 2H-Pyrazole-3-carboxylic acid; 2H-Pyrazole-3-carboxylicacid
• Molecular Formula: C₄H₄N₂O₂
• Molecular Weight: 112.09
• CAS Registry Number: 855643-75-3
• SMILES: C1=CNN=C1C(=O)O
• InChI: 1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
• InChIKey: KOPFEFZSAMLEHK-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 211°C (Expl.)
• Boiling point: 417.1±18.0°C at 760 mmHg (Cal.)
• Flash point: 206.1±21.2°C (Cal.)
• Refractive index: 1.617 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Yunnan Gong, Chongbo Liu, Huiliang Wen, Liushui Yan, Zhiqiang Xiong and Liang Ding. Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks, New J. Chem., 2011, 35, 865.