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| CAS No.: | 317-57-7 |
|---|---|
| Name: | 8-Trifluoromethylquinoline |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
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| Formula: | C10H6F3N |
| Molecular Weight: | 197.16 |
| Synonyms: | 8-(Trifluoromethyl)quinoline |
| EINECS: | 197.2 |
| Density: | 1.312 g/cm3 |
| Melting Point: | 66 °C |
| Boiling Point: | 243.701 °C at 760 mmHg |
| Flash Point: | 101.187 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 12.89000 |
| LogP: | 3.25360 |
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Specification
The cas register number of 8-Trifluoromethylquinoline is 317-57-7. It also can be called as Quinoline, 8-(trifluoromethyl)- and the Systematic name about this chemical is 8-(trifluoromethyl)quinoline.
Physical properties about 8-Trifluoromethylquinoline are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 47; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 545; (8)ACD/KOC (pH 7.4): 546; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 47.166 cm3; (15)Molar Volume: 150.284 cm3; (16)Surface Tension: 33.838 dyne/cm; (17)Density: 1.312 g/cm3; (18)Flash Point: 101.187 °C; (19)Enthalpy of Vaporization: 46.125 kJ/mol; (20)Boiling Point: 243.701 °C at 760 mmHg; (21)Vapour Pressure: 0.049 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: FC(F)(F)c1cccc2cccnc12
2.InChI: InChI=1/C10H6F3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1-6H
3.InChIKey: AJXUSUNIYLSPER-UHFFFAOYAT
4.Std. InChI: InChI=1S/C10H6F3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1-6H