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| CAS No.: | 588702-66-3 |
|---|---|
| Name: | 3-(Trifluoromethyl)quinoline-8-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C11H6F3NO2 |
| Molecular Weight: | 241.1660496 |
| Synonyms: | 8-Quinolinecarboxylic acid, 3-(trifluoromethyl)-; |
| EINECS: | 604-604-1 |
| Density: | 1.481 g/cm3 |
| Melting Point: | 182-185 °C (decomp)(Solv: ethanol (64-17-5)) |
| Boiling Point: | 379.607 °C at 760 mmHg |
| Flash Point: | 183.38 °C |
| PSA: | 50.19000 |
| LogP: | 2.95180 |
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Specification
The 3-(Trifluoromethyl)quinoline-8-carboxylic acid, with the CAS registry number 588702-66-3, is also known as 8-Quinolinecarboxylic acid, 3-(trifluoromethyl)-. This chemical's molecular formula is C11H6F3NO2 and molecular weight is 241.166. Its systematic name is called 3-(trifluoromethyl)quinoline-8-carboxylic acid.
Physical properties of 3-(Trifluoromethyl)quinoline-8-carboxylic acid: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 7.4): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 54.097 cm3; (12)Molar Volume: 162.813 cm3; (13)Surface Tension: 46.251 dyne/cm; (14)Density: 1.481 g/cm3; (15)Flash Point: 183.38 °C; (16)Enthalpy of Vaporization: 66.209 kJ/mol; (17)Boiling Point: 379.607 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc2cccc(C(=O)O)c2nc1
(2)InChI: InChI=1/C11H6F3NO2/c12-11(13,14)7-4-6-2-1-3-8(10(16)17)9(6)15-5-7/h1-5H,(H,16,17)
(3)InChIKey: ZBVKRLUVHQGYGA-UHFFFAOYAW