4-Phenyl-3,6-Dimethylisoxazolo[3,4-d]Pyridazine-7(6H)-One
[CAS# 25506-00-7]

Identification

• Name: 4-Phenyl-3,6-Dimethylisoxazolo[3,4-d]Pyridazine-7(6H)-One
• Synonyms: 3,6-Dimethyl-4-Phenyl-Isoxazolo[3,4-D]Pyridazin-7-One; 3,6-Dimethyl-4-Phenyl-7-Isoxazolo[3,4-D]Pyridazinone; 3,6-Dimetil-4-Fenilisossazolo(3,4-D)Piridazin-7-One [Italian]
• Molecular Formula: C₁₃H₁₁N₃O₂
• Molecular Weight: 241.25
• CAS Registry Number: 25506-00-7
• SMILES: C3=C(C1=NN(C)C(C2=NOC(=C12)C)=O)C=CC=C3
• InChI: 1S/C13H11N3O2/c1-8-10-11(9-6-4-3-5-7-9)14-16(2)13(17)12(10)15-18-8/h3-7H,1-2H3
• InChIKey: XJXJGEAQOLTDAY-UHFFFAOYSA-N

Properties

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