1-Bromo-2,4,5-trifluorobenzene

The 1-Bromo-2,4,5-trifluorobenzene, with the CAS registry number 327-52-6 and EINECS registry number 206-318-8, has the systematic name of 1-bromo-2,4,5-trifluorobenzene. And the molecular formula of this chemical is C₆H₂BrF₃. It is a kind of clear slightly yellow liquid, and belongs to the following product categories: Aromatic Hydrocarbons (substituted) & Derivatives; Miscellaneous; Benzenes; Aryl; C6; Halogenated Hydrocarbons. What's more, it is used as intermediates of liquid crystals.

The physical properties of 1-Bromo-2,4,5-trifluorobenzene are as following: (1)ACD/LogP: 3.00; (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): 111.84; (6)ACD/BCF (pH 7.4): 111.84; (7)ACD/KOC (pH 5.5): 1018.55; (8)ACD/KOC (pH 7.4): 1018.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 33.92 cm³; (15)Molar Volume: 118.2 cm³; (16)Polarizability: 13.44×10^-24cm³; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.784 g/cm³; (19)Flash Point: 55.6 °C; (20)Enthalpy of Vaporization: 36.54 kJ/mol; (21)Boiling Point: 144 °C at 760 mmHg; (22)Vapour Pressure: 6.54 mmHg at 25°C.

Uses of 1-Bromo-2,4,5-trifluorobenzene: It can react with carbon dioxide to produce 3-bromo-2,5,6-trifluorobenzoic acid. This reaction will need reagent LDA, and the solvents hexane and tetrahydrofuran. The reaction time is 2 minutes, and the yield is about 83%.

You should be cautious while dealing with this chemical. It is a kind if flammable chemical whcih irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)cc(Br)c(F)c1
(2)InChI: InChI=1/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
(3)InChIKey: DVTULTINXNWGJY-UHFFFAOYAU