4-[4-(1,1-Dimethylethyl)Phenyl]-5,6,7,8-Tetrahydro-1(2H)-Phthalazinone
[CAS# 72987-35-0]

Identification

• Name: 4-[4-(1,1-Dimethylethyl)Phenyl]-5,6,7,8-Tetrahydro-1(2H)-Phthalazinone
• Synonyms: 1(2H)-Phthalazinone, 4-(4-(1,1-Dimethylethyl)Phenyl)-5,6,7,8-Tetrahydro-; 1-Phthalazinol, 4-(P-Tert-Butylphenyl)-5,6,7,8-Tetrahydro-
• Molecular Formula: C₁₈H₂₂N₂O
• Molecular Weight: 282.38
• CAS Registry Number: 72987-35-0
• SMILES: C1=C(C(C)(C)C)C=CC(=C1)C2=NNC(=O)C3=C2CCCC3
• InChI: 1S/C18H22N2O/c1-18(2,3)13-10-8-12(9-11-13)16-14-6-4-5-7-15(14)17(21)20-19-16/h8-11H,4-7H2,1-3H3,(H,20,21)
• InChIKey: IIPBZSKJTSVFET-UHFFFAOYSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 478.8°C at 760 mmHg (Cal.)
• Flash point: 243.4°C (Cal.)