3-Benzyl-4-Oxo-3,4-Dihydro-Phthalazine-1-Carboxylic Acid
[CAS# 16015-49-9]

Identification

• Name: 3-Benzyl-4-Oxo-3,4-Dihydro-Phthalazine-1-Carboxylic Acid
• Synonyms: 4-Oxo-3-(Phenylmethyl)-1-Phthalazinecarboxylate; 3-(Benzyl)-4-Keto-Phthalazine-1-Carboxylate; Zinc03269680
• Molecular Formula: C₁₆H₁₁N₂O₃
• Molecular Weight: 279.27
• CAS Registry Number: 16015-49-9
• SMILES: C1=CC=CC2=C1C(=NN(C2=O)CC3=CC=CC=C3)C([O-])=O
• InChI: 1S/C16H12N2O3/c19-15-13-9-5-4-8-12(13)14(16(20)21)17-18(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)/p-1
• InChIKey: ZXWKUKKFDVBJOQ-UHFFFAOYSA-M

Properties

• Boiling point: 512.883°C at 760 mmHg (Cal.)
• Flash point: 263.982°C (Cal.)