2-Benzyl-1,3-Dioxoisoindoline-5-Carboxylic Acid
[CAS# 67822-75-7]

Identification

• Name: 2-Benzyl-1,3-Dioxoisoindoline-5-Carboxylic Acid
• Synonyms: 1,3-Dioxo-2-(Phenylmethyl)Isoindoline-5-Carboxylate; 1,3-Dioxo-2-(Phenylmethyl)-5-Isoindolinecarboxylate; 2-(Benzyl)-1,3-Diketo-Isoindoline-5-Carboxylate
• Molecular Formula: C₁₆H₁₀NO₄
• Molecular Weight: 280.26
• CAS Registry Number: 67822-75-7
• SMILES: C1=C(C=CC3=C1C(=O)N(CC2=CC=CC=C2)C3=O)C([O-])=O
• InChI: 1S/C16H11NO4/c18-14-12-7-6-11(16(20)21)8-13(12)15(19)17(14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)/p-1
• InChIKey: KGHOAEZOEVGKMU-UHFFFAOYSA-M

Properties

• Boiling point: 520.436°C at 760 mmHg (Cal.)
• Flash point: 268.55°C (Cal.)