5-Tridecyl-1H-Pyrazole-3-Carboxylic Acid
[CAS# 79445-14-0]

Identification

• Name: 5-Tridecyl-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 1H-Pyrazole-3-Carboxylic Acid, 5-Tridecyl-; 5-Tridecylpyrazole-3-Carboxylic Acid; 5-N-Tridecylpyrazole-3-Carboxylic Acid
• Molecular Formula: C₁₇H₃₀N₂O₂
• Molecular Weight: 294.44
• CAS Registry Number: 79445-14-0
• SMILES: C1=C(CCCCCCCCCCCCC)[NH]N=C1C(O)=O
• InChI: 1S/C17H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(17(20)21)19-18-15/h14H,2-13H2,1H3,(H,18,19)(H,20,21)
• InChIKey: NHYZZXXJWKXULT-UHFFFAOYSA-N

Properties

• Density: 1.023g/cm³ (Cal.)
• Boiling point: 473.257°C at 760 mmHg (Cal.)
• Flash point: 240.018°C (Cal.)