1-(1H-Pyrazol-1-Yl)-1-Heptanone
[CAS# 544433-72-9]

Identification

• Name: 1-(1H-Pyrazol-1-Yl)-1-Heptanone
• Synonyms: 1-(1H-pyrazol-1-yl)heptan-1-one; 1H-Pyrazole,1-(1-oxoheptyl)-
• Molecular Formula: C₁₀H₁₆N₂O
• Molecular Weight: 180.25
• CAS Registry Number: 544433-72-9
• SMILES: O=C(n1nccc1)CCCCCC
• InChI: 1S/C10H16N2O/c1-2-3-4-5-7-10(13)12-9-6-8-11-12/h6,8-9H,2-5,7H2,1H3
• InChIKey: NJOCMLSEVJTDKF-UHFFFAOYSA-N

Properties

• Density: 1.019g/cm³ (Cal.)
• Boiling point: 280.121°C at 760 mmHg (Cal.)
• Flash point: 123.213°C (Cal.)
• Refractive index: 1.52 (Cal.)