2-Phenyl-3H-Phthalazine-1,4-Dione
[CAS# 5439-98-5]

Identification

• Name: 2-Phenyl-3H-Phthalazine-1,4-Dione
• Synonyms: 3-Phenyl-2H-Phthalazine-1,4-Quinone; Nsc15447; 2-Phenyl-2,3-Dihydro-1,4-Phthalazinedione
• Molecular Formula: C₁₄H₁₀N₂O₂
• Molecular Weight: 238.25
• CAS Registry Number: 5439-98-5
• SMILES: C1=CC=CC=C1N3C(C2=C(C=CC=C2)C(N3)=O)=O
• InChI: 1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)14(18)16(15-13)10-6-2-1-3-7-10/h1-9H,(H,15,17)
• InChIKey: DHORJGJIZSYQQV-UHFFFAOYSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 447.6°C at 760 mmHg (Cal.)
• Flash point: 224.5°C (Cal.)

References

• (1): D. Becker, M. Botoshansky, N. Gasper, F. H. Herbstein and M. Karni. 2-Phenyl-4-hydroxyphthalazin-1-one: A Benzoannelated Derivative of Maleic Hydrazide, Acta Cryst. (1998). B54, 671-676