1-Bromo-3-fluoro-4-iodobenzene

The 1-Bromo-3-fluoro-4-iodobenzene, with the CAS registry number 105931-73-5, has the IUPAC name 4-bromo-2-fluoro-1-iodobenzene. Its molecular formula is C₆H₃BrFI and its molecular weight is 300.89. However, this chemical should be kept in the cool and dry place where there is no oxides. Moreover, it belongs to the product categories Aromatic Halides (substituted); Bromine Compounds; Fluorine Compounds; Iodine Compounds; Aryl; C6; Halogenated Hydrocarbons.

Other characteristics of the 1-Bromo-3-fluoro-4-iodobenzene can be summarised as followings: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 547.3; (6)ACD/BCF (pH 7.4): 547.3; (7)ACD/KOC (pH 5.5): 3174.12; (8)ACD/KOC (pH 7.4): 3174.12; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 46.84 cm³; (14)Molar Volume: 131.9 cm³; (15)Polarizability: 18.57×10^-24cm³; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 2.281 g/cm³; (18)Flash Point: 101.3 °C; (19)Enthalpy of Vaporization: 46.14 kJ/mol; (20)Boiling Point: 243.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0489 mmHg at 25°C.

Uses of the 1-Bromo-3-fluoro-4-iodobenzene: It could react with norbornan-7-one to obtain the 7-(4-bromo-2-fluorophenyl)-7-norbornanol. This reaction needs the reagent of Mg, and the solvent of diethyl ether. The yield is 62 %. In addition, this reaction should be taken for 3 hours by heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(Br)ccc1I
2.InChI: InChI=1/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
3.InChIKey: XRMZKCQCINEBEI-UHFFFAOYAG