2-Methyl-2-propanyl 3-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate
[CAS# 733757-89-6]

Identification

• Name: 2-Methyl-2-propanyl 3-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate
• Synonyms: tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
• Molecular Formula: C₁₂H₁₆F₃N₃O₂
• Molecular Weight: 291.27
• CAS Registry Number: 733757-89-6
• SMILES: CC(C)(C)OC(=O)N1CCc2c([nH]nc2C(F)(F)F)C1
• InChI: 1S/C12H16F3N3O2/c1-11(2,3)20-10(19)18-5-4-7-8(6-18)16-17-9(7)12(13,14)15/h4-6H2,1-3H3,(H,16,17)
• InChIKey: XMKZXGSZQPUXKJ-UHFFFAOYSA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 368.416°C at 760 mmHg (Cal.)
• Flash point: 176.612°C (Cal.)
• Refractive index: 1.498 (Cal.)