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