Coumarin-340
[CAS# 53518-16-4]

Identification

• Name: Coumarin-340
• Synonyms: 4-(Trifluoromethyl)-6,7,8,9-Tetrahydro-2H-Pyrano[3,2-G]Quinolin-2-One; Aids-129827; Aids129827
• Molecular Formula: C₁₃H₁₀F₃NO₂
• Molecular Weight: 269.22
• CAS Registry Number: 53518-16-4
• SMILES: C2=C1CCCNC1=CC3=C2C(=CC(O3)=O)C(F)(F)F
• InChI: 1S/C13H10F3NO2/c14-13(15,16)9-5-12(18)19-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2
• InChIKey: XJDJBMLMMBPNGL-UHFFFAOYSA-N

Properties

• Density: 1.409g/cm³ (Cal.)
• Boiling point: 354.531°C at 760 mmHg (Cal.)
• Flash point: 168.214°C (Cal.)

References

• (1): J. P. Jasinski, J. M. Jasinski and Y. Li. 6,7,8,9-Tetrahydro-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (II), Acta Cryst. (1998). C54, 410-412