CAS No.596845-30-6,2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline Suppliers

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Molecular Structure:
CAS No.:	596845-30-6
Name:	2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline
Article Data:	1

Formula:	C₁₀H₄BrF₄N
Molecular Weight:	294.046
Synonyms:	quinoline, 2-bromo-6-fluoro-4-(trifluoromethyl)-;
Density:	1.723 g/cm³
Melting Point:	108-109 °C
Boiling Point:	295.418 °C at 760 mmHg
Flash Point:	132.464 °C
Safety:	24/25
PSA:	12.89000
LogP:	4.15520

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Specification

The 2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline, with the CAS registry number 596845-30-6, is also called quinoline, 2-bromo-6-fluoro-4-(trifluoromethyl)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₄BrF₄N.

The characteristics of 2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline are as followings: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 460; (6)ACD/BCF (pH 7.4): 460; (7)ACD/KOC (pH 5.5): 2805; (8)ACD/KOC (pH 7.4): 2805; (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: 1.556; (14)Molar Refractivity: 54.85 cm³; (15)Molar Volume: 170.678 cm³; (16)Polarizability: 21.744×10^-24cm³; (17)Surface Tension: 36.696 dyne/cm; (18)Density: 1.723 g/cm³; (19)Flash Point: 132.464 °C; (20)Enthalpy of Vaporization: 51.37 kJ/mol; (21)Boiling Point: 295.418 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Uses of 2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline: It can react with carbon dioxide to produce 6-fluoro-4-trifluoromethyl-quinoline-2-carboxylic acid. This reaction will need reagent butyllithium, and the menstruum tetrahydrofuran and hexane. The reaction time is 15 minutes with temperature of -15°C, and the yield is about 71%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2c(cc1F)c(cc(n2)Br)C(F)(F)F
(2)InChI: InChI=1/C10H4BrF4N/c11-9-4-7(10(13,14)15)6-3-5(12)1-2-8(6)16-9/h1-4H
(3)InChIKey: YIJYXAAALOPGOS-UHFFFAOYAP