3-(1-Oxo-4-phenyl-2(1H)-phthalazinyl)propanenitrile
[CAS# 76972-37-7]

Identification

• Name: 3-(1-Oxo-4-phenyl-2(1H)-phthalazinyl)propanenitrile
• Synonyms: 3-(1-oxo-4-phenyl-2(1H)-phthalazinyl)propanenitrile; 3-(1-oxo-4-phenyl-2-hydrophthalazin-2-yl)propanenitrile; 3-(1-Oxo-4-Phenylphthalazin-2(1H)-yl)propaneitrile
• Molecular Formula: C₁₇H₁₃N₃O
• Molecular Weight: 275.30
• CAS Registry Number: 76972-37-7
• SMILES: C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC#N
• InChI: 1S/C17H13N3O/c18-11-6-12-20-17(21)15-10-5-4-9-14(15)16(19-20)13-7-2-1-3-8-13/h1-5,7-10H,6,12H2
• InChIKey: UMOKWKQAKXBSFF-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 498.0±47.0°C at 760 mmHg (Cal.)
• Flash point: 255.0±29.3°C (Cal.)