3-[4-(4-Methylphenyl)-1-oxo-2(1H)-phthalazinyl]propanenitrile
[CAS# 76972-38-8]

Identification

• Name: 3-[4-(4-Methylphenyl)-1-oxo-2(1H)-phthalazinyl]propanenitrile
• Synonyms: 3-(1-OXO-4-P-TOLYLPHTHALAZIN-2(1H)-YL)PROPANENITRILE
• Molecular Formula: C₁₈H₁₅N₃O
• Molecular Weight: 289.33
• CAS Registry Number: 76972-38-8
• SMILES: Cc1ccc(cc1)c2c3ccccc3c(=O)n(n2)CCC#N
• InChI: 1S/C18H15N3O/c1-13-7-9-14(10-8-13)17-15-5-2-3-6-16(15)18(22)21(20-17)12-4-11-19/h2-3,5-10H,4,12H2,1H3
• InChIKey: ZFNOYWXTJZRMDH-UHFFFAOYSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 504.347°C at 760 mmHg (Cal.)
• Flash point: 258.82°C (Cal.)