3-(2-Methyl-2-propanyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
[CAS 93045-47-7]

Identification

• Name: 3-(2-Methyl-2-propanyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
• Synonyms: 3-(tert-Butyl)-1-phenyl-1H-pyrazole-5-carboxylic acid; 3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLICACID; 3-(tert-butyl)-1-phenylpyrazole-5-carboxylic acid
• Molecular Formula: C₁₄H₁₆N₂O₂
• Molecular Weight: 244.29
• CAS Registry Number: 93045-47-7
• SMILES: O=C(O)c2cc(nn2c1ccccc1)C(C)(C)C
• InChI: 1S/C14H16N2O2/c1-14(2,3)12-9-11(13(17)18)16(15-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,18)
• InChIKey: JYAMNOJMPNSKGL-UHFFFAOYSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Melting point: 204-206°C (Expl.)
• Boiling point: 398.374°C at 760 mmHg (Cal.)
• Flash point: 194.73°C (Cal.)

Safety Data

• Safety Description: IRRITANT