Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate supplier

Name
ETHYL 4-HYDROXY-6-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE
EINECS
CAS No. 26893-12-9
Article Data17
CAS DataBase
Density 1.373 g/cm³
Solubility
Melting Point 336 °C(dec.)
Formula C₁₃H₁₀F₃NO₃
Boiling Point 351.8 °C at 760 mmHg
Molecular Weight 285.223
Flash Point 166.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
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;
PSA 59.42000
LogP 3.13590

Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate Specification

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

Product Name

ETHYL 4-HYDROXY-6-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE

Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate Specification

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