2-BROMO-4-(TRIFLUOROMETHYL)QUINOLINE

The 2-Bromo-4-(trifluoromethyl)quinoline is an organic compound with the formula C₁₀H₅BrF₃N. The systematic name of this chemical is 2-bromo-4-(trifluoromethyl)quinoline. With the CAS registry number 590372-17-1, it is also named as quinoline, 2-bromo-4-(trifluoromethyl)-. The product's categories are Quinoline Series; Quinolines, Isoquinolines & Quinoxalines; Halides; Quinolines, Isoquinolines & Quinoxalines.

Physical properties about 2-Bromo-4-(trifluoromethyl)quinoline are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 138; (5)ACD/BCF (pH 7.4): 138; (6)ACD/KOC (pH 5.5): 1186; (7)ACD/KOC (pH 7.4): 1186; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å²; (10)Index of Refraction: 1.573; (11)Molar Refractivity: 54.857 cm³; (12)Molar Volume: 166.468 cm³; (13)Polarizability: 21.747×10^-24cm³; (14)Surface Tension: 37.87 dyne/cm; (15)Density: 1.658 g/cm³; (16)Flash Point: 130.154 °C; (17)Enthalpy of Vaporization: 50.976 kJ/mol; (18)Boiling Point: 291.597 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.

Uses of 2-Bromo-4-(trifluoromethyl)quinoline: it can be used to produce 4-trifluoromethyl-quinoline-2-carboxylic acid at temperature of -75 °C. It will need reagent butyllithium and solvent tetrahydrofuran, hexane with reaction time of 45 min. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c2ccccc2nc(Br)c1
(2)InChI: InChI=1/C10H5BrF3N/c11-9-5-7(10(12,13)14)6-3-1-2-4-8(6)15-9/h1-5H
(3)InChIKey: ZKANUNDNTIXZFJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H5BrF3N/c11-9-5-7(10(12,13)14)6-3-1-2-4-8(6)15-9/h1-5H
(5)Std. InChIKey: ZKANUNDNTIXZFJ-UHFFFAOYSA-N