3-Benzoylcoumarin
[CAS# 1846-74-8]

Identification

• Name: 3-Benzoylcoumarin
• Synonyms: 3-(Oxo-Phenylmethyl)-2-Chromenone; 3-(Benzoyl)Coumarin; 3-Phenylcarbonylchromen-2-One
• Molecular Formula: C₁₆H₁₀O₃
• Molecular Weight: 250.25
• CAS Registry Number: 1846-74-8
• SMILES: C1=CC3=C(C=C1)C=C(C(=O)C2=CC=CC=C2)C(O3)=O
• InChI: 1S/C16H10O3/c17-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)19-16(13)18/h1-10H
• InChIKey: LPBMPRKJYKSRLL-UHFFFAOYSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 447.726°C at 760 mmHg (Cal.)
• Flash point: 202.015°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.