3-Benzoylbenzo [f] Coumarin
[CAS# 4852-81-7]

Identification

• Name: 3-Benzoylbenzo [f] Coumarin
• Synonyms: 2-(Oxo-Phenylmethyl)-3-Benzo[F]Chromenone; 2-Phenylcarbonylbenzo[F]Chromen-3-One; Zinc00162119
• Molecular Formula: C₂₀H₁₂O₃
• Molecular Weight: 300.31
• CAS Registry Number: 4852-81-7
• SMILES: C1=CC=CC2=CC=C4C(=C12)C=C(C(C3=CC=CC=C3)=O)C(O4)=O
• InChI: 1S/C20H12O3/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22/h1-12H
• InChIKey: JPPGTVYDWHSNLJ-UHFFFAOYSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 534.961°C at 760 mmHg (Cal.)
• Flash point: 239.087°C (Cal.)

References

• (1): K. C. Majumdar, Srikanta Samanta, Inul Ansary and B. Roy. An unusual one-pot synthesis of 3-benzoylcoumarins and coumarin-3-carbaldehydes from 2-hydroxybenzaldehydes under esterification conditions, RSC Advances, 2012, 2, 2137.