1-Bromo-3-chloro-5-fluorobenzene

The 1-Bromo-3-chloro-5-fluorobenzene, with its CAS registry number 33863-76-2, is a kind of white to light yellow liquid. And its product categories are including Aromatic Halides (substituted); Fluorobenzene; Bromine Compounds; Chlorine Compounds; Fluorine Compounds.

The physical properties of this chemical are as below: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 142.28; (6)ACD/BCF (pH 7.4): 142.28; (7)ACD/KOC (pH 5.5): 1210.1; (8)ACD/KOC (pH 7.4): 1210.1; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 38.83 cm³; (13)Molar Volume: 121.7 cm³; (14)Polarizability: 15.39×10^-24 cm³; (15)Surface Tension: 37.2 dyne/cm; (16)Density: 1.719 g/cm³; (17)Flash Point: 67.9 °C; (18)Enthalpy of Vaporization: 40.74 kJ/mol; (19)Boiling Point: 188.6 °C at 760 mmHg; (20)Vapour Pressure: 0.82 mmHg at 25°C; (21)Exact Mass: 207.909069; (22)MonoIsotopic Mass: 207.909069; (23)Heavy Atom Count: 9; (24)Complexity: 99.1.

Use of this chemical: 1-Bromo-3-chloro-5-fluorobenzene could react with piperazine to produce 1-(3-chloro-5-fluoro-phenyl)-piperazine. This reaction could happen in the presence of the reagent of dichlorobis(tri-o-tolylphosphane)palladium and t-BuONa and the solvent of  toluene, and it needs the reaction time of 38 hours and the reaction temp. of 100 ℃.

When you are dealing with this chemical, you should be very careful. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1Cl)Br)F
(2)InChI: InChI=1S/C6H3BrClF/c7-4-1-5(8)3-6(9)2-4/h1-3H
(3)InChIKey: GGMDFPMASIXEIR-UHFFFAOYSA-N