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57124-18-2

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Basic Information
CAS No.: 57124-18-2
Name: 4-Bromo-8-chloro-2-(trifluoromethyl)quinoline
Article Data: 2
Molecular Structure:
Molecular Structure of 57124-18-2 (4-Bromo-8-chloro-2-(trifluoromethyl)quinoline)
Formula: C10H4BrClF3N
Molecular Weight: 310.501
Synonyms: quinoline, 4-bromo-8-chloro-2-(trifluoromethyl)-;
Density: 1.74g/cm3
Boiling Point: 303.359 °C at 760 mmHg
Flash Point: 137.267 °C
PSA: 12.89000
LogP: 4.66950
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Specification

The 4-Bromo-8-chloro-2-(trifluoromethyl)quinoline, with CAS registry number 57124-18-2, has the systematic name of 4-bromo-8-chloro-2-(trifluoromethyl)quinoline. Besides this, it is also called quinoline, 4-bromo-8-chloro-2-(trifluoromethyl)-. And the chemical formula of this chemical is C10H4BrClF3N.

Physical properties of 4-Bromo-8-chloro-2-(trifluoromethyl)quinoline: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 213; (6)ACD/BCF (pH 7.4): 213; (7)ACD/KOC (pH 5.5): 1614; (8)ACD/KOC (pH 7.4): 1614; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 59.752 cm3; (15)Molar Volume: 178.419 cm3; (16)Polarizability: 23.687×10-24cm3; (17)Surface Tension: 40.045 dyne/cm; (18)Enthalpy of Vaporization: 52.192 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nc2c(Cl)cccc2c(Br)c1
(2)InChI: InChI=1/C10H4BrClF3N/c11-6-4-8(10(13,14)15)16-9-5(6)2-1-3-7(9)12/h1-4H
(3)InChIKey: ZEXFUTKZNOQJSQ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H4BrClF3N/c11-6-4-8(10(13,14)15)16-9-5(6)2-1-3-7(9)12/h1-4H
(5)Std. InChIKey: ZEXFUTKZNOQJSQ-UHFFFAOYSA-N