Product Name

  • Name

    6,7-Diethoxy-4-(trifluoromethyl)coumarin

  • EINECS
  • CAS No. 351002-66-9
  • Density 1.318 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H13F3O4
  • Boiling Point 354.4 °C at 760 mmHg
  • Molecular Weight 302.25
  • Flash Point 162.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 351002-66-9 (6,7-Diethoxy-4-(trifluoromethyl)coumarin)
  • Hazard Symbols
  • Synonyms 6,7-Diethoxy-4-(trifluoromethyl)coumarin;
  • PSA 48.67000
  • LogP 3.60920

6,7-Diethoxy-4-(trifluoromethyl)coumarin Specification

The 6,7-Diethoxy-4-(trifluoromethyl)coumarin with its cas register number is 351002-66-9. It also can be called as 2H-1-Benzopyran-2-one,6,7-diethoxy-4-(trifluoromethyl)- and the Systematic name about this chemical is 6,7-diethoxy-4-(trifluoromethyl)-2H-chromen-2-one.

Physical properties about 6,7-Diethoxy-4-(trifluoromethyl)coumarin are: (1)ACD/LogP: 3.92; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 44.76Å2; (5)Index of Refraction: 1.497; (6)Molar Refractivity: 67.17 cm3; (7)Molar Volume: 229.1 cm3; (8)Polarizability: 26.62x10-24cm3; (9)Surface Tension: 36.4 dyne/cm; (10)Enthalpy of Vaporization: 59.94 kJ/mol; (11)Vapour Pressure: 3.36E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C=1c2c(OC(=O)C=1)cc(OCC)c(OCC)c2
(2)InChI: InChI=1/C14H13F3O4/c1-3-19-11-5-8-9(14(15,16)17)6-13(18)21-10(8)7-12(11)20-4-2/h5-7H,3-4H2,1-2H3
(3)InChIKey: BLGQQAWSNWKPDA-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H13F3O4/c1-3-19-11-5-8-9(14(15,16)17)6-13(18)21-10(8)7-12(11)20-4-2/h5-7H,3-4H2,1-2H3
(5)Std. InChIKey: BLGQQAWSNWKPDA-UHFFFAOYSA-N

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