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Quinoline,8-(trifluoromethyl)- (317-57-7)

Identification
Name:Quinoline,8-(trifluoromethyl)-
Synonyms:8-Trifluoromethylquinoline;
CAS:317-57-7
EINECS: 197.2
Molecular Formula: C10H6F3N
Molecular Weight: 197.16
InChI: InChI=1/C10H6F3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1-6H
Molecular Structure: (C10H6F3N) 8-Trifluoromethylquinoline;
Properties
Density:1.311
Refractive index:1.54
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

Safety Data
Hazard Symbols Xi: Irritant