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CAS No.: | 26893-12-9 |
---|---|
Name: | ETHYL 4-HYDROXY-6-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C13H10F3NO3 |
Molecular Weight: | 285.223 |
Synonyms: | Ethyl 4-hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylate;Hydroxytrifluoromethylquinolinecarboxylicacidethylester;4-Hydroxy-6-trifluoromethylquinoline-3-carboxylic acid ethyl ester;Ethyl 4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate; |
Density: | 1.373 g/cm3 |
Melting Point: | 336 °C(dec.) |
Boiling Point: | 351.8 °C at 760 mmHg |
Flash Point: | 166.6 °C |
Hazard Symbols: | Xi |
PSA: | 59.42000 |
LogP: | 3.13590 |
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The CAS registry number of 3-Quinolinecarboxylicacid, 4-hydroxy-6-(trifluoromethyl)-, ethyl ester is 26893-12-9. The IUPAC name is ethyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate. In addition, the molecular formula is C13H10F3NO3 and the molecular weight is 285.22. It belongs to the classes of Acids and Derivatives; Heterocycles. And it should be stored in a cool and dry place.
Physical properties about 3-Quinolinecarboxylicacid, 4-hydroxy-6-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 3.59; (2)ACD/LogD (pH 5.5): 3.58; (3)ACD/LogD (pH 7.4): 3.58; (4)ACD/BCF (pH 5.5): 312.23; (5)ACD/BCF (pH 7.4): 312.23; (6)ACD/KOC (pH 5.5): 2123.99; (7)ACD/KOC (pH 7.4): 2123.99; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 62.06 cm3; (14)Molar Volume: 207.7 cm3; (15)Polarizability: 24.6 ×10-24cm3; (16)Surface Tension: 38.5 dyne/cm; (17)Density: 1.373 g/cm3; (18)Flash Point: 166.6 °C; (19)Enthalpy of Vaporization: 59.65 kJ/mol; (20)Boiling Point: 351.8 °C at 760 mmHg; (21)Vapour Pressure: 4.01E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccc1c(C(=O)\C(=C/N1)C(=O)OCC)c2
(2)InChI: InChI=1/C13H10F3NO3/c1-2-20-12(19)9-6-17-10-4-3-7(13(14,15)16)5-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)
(3)InChIKey: SPGPSFWOMJQSDF-UHFFFAOYAP