3,4-Dimethyl-6-Phenylisoxazolo[3,4-d]Pyridazin-7(6H)-One
[CAS# 15911-15-6]

Identification

• Name: 3,4-Dimethyl-6-Phenylisoxazolo[3,4-d]Pyridazin-7(6H)-One
• Synonyms: 3,4-Dimethyl-6-Phenyl-Isoxazolo[3,4-D]Pyridazin-7-One; 3,4-Dimethyl-6-Phenyl-7-Isoxazolo[3,4-D]Pyridazinone; Oprea1_636270
• Molecular Formula: C₁₃H₁₁N₃O₂
• Molecular Weight: 241.25
• CAS Registry Number: 15911-15-6
• SMILES: C1=CC=CC=C1N3C(C2=NOC(=C2C(=N3)C)C)=O
• InChI: 1S/C13H11N3O2/c1-8-11-9(2)18-15-12(11)13(17)16(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3
• InChIKey: YNMXHASRQBEXMM-UHFFFAOYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 433.995°C at 760 mmHg (Cal.)
• Flash point: 216.273°C (Cal.)