4-Fluorobenzyl bromide

The IUPAC name of 4-Fluorobenzyl bromide is 1-(bromomethyl)-4-fluorobenzene. With the CAS registry number 459-46-1, it is also named as Benzene, 1-(bromomethyl)-4-fluoro-. The product's categories are Fluoro-contained benzyl bromide series; Benzyl; Fluorinated benzene series. It is colorless to light yellow liquid which is lachrymatory. Additionally, this chemical is sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.6; (6)ACD/BCF (pH 7.4): 106.6; (7)ACD/KOC (pH 5.5): 984.2; (8)ACD/KOC (pH 7.4): 984.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 38.89 cm³; (14)Molar Volume: 123.1 cm³; (15)Polarizability: 15.41×10^-24 cm³; (16)Surface Tension: 36.8 dyne/cm; (17)Enthalpy of Vaporization: 41.44 kJ/mol; (18)Vapour Pressure: 0.576 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 187.963691; (21)MonoIsotopic Mass: 187.963691; (22)Heavy Atom Count: 9; (23)Complexity: 77.

Preparation of 4-Fluorobenzyl bromide: It can be obtained by 1-fluoro-4-methyl-benzene. This reaction needs reagent Br₂ and solvent benzene by irradiation. The reaction time is 4.0 hours. The yield is 88%. 

Uses of 4-Fluorobenzyl bromide: It can react with 2-methyl-4-nitro-1(3)H-imidazole to get 1-(4-fluoro-benzyl)-2-methyl-4-nitro-1H-imidazole. This reaction needs reagent K₂CO₃ and solvent dimethylformamide. The yield is 77%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns and is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:BrCc1ccc(F)cc1
2. InChI:InChI=1/C7H6BrF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2 
3. InChIKey:NVNPLEPBDPJYRZ-UHFFFAOYAT