3,4-Diphenylisochromen-1-One
[CAS# 1684-07-7]

Identification

• Name: 3,4-Diphenylisochromen-1-One
• Synonyms: 3,4-Di(Phenyl)-1-Isochromenone; Nsc55862; Nciopen2_002080
• Molecular Formula: C₂₁H₁₄O₂
• Molecular Weight: 298.34
• CAS Registry Number: 1684-07-7
• SMILES: C1=CC=CC2=C1C(=C(OC2=O)C3=CC=CC=C3)C4=CC=CC=C4
• InChI: 1S/C21H14O2/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14H
• InChIKey: QBEHFSAHUYZGNQ-UHFFFAOYSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 454.874°C at 760 mmHg (Cal.)
• Flash point: 192.553°C (Cal.)