4-Chlorobenzyl bromide (622-95-7)

The IUPAC name of p-Chlorobenzyl bromide is 1-(bromomethyl)-4-chlorobenzene. With the CAS registry number 622-95-7, it is also named as Benzene, 1-(bromomethyl)-4-chloro-. The product's categories are Benzyl; Aryl; Halogenated Hydrocarbons. It is white crystalline low melting solid which is insoluble in water and lachrymatory. Additionally, this chemical should be sealed in the container and the container must be fulled of inert gas.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 275.87; (6)ACD/BCF (pH 7.4): 275.87; (7)ACD/KOC (pH 5.5): 1943.87; (8)ACD/KOC (pH 7.4): 1943.87; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 43.79 cm³; (13)Molar Volume: 130.8 cm³; (14)Polarizability: 17.36×10^-24 cm³; (15)Surface Tension: 41.4 dyne/cm; (16)Enthalpy of Vaporization: 44.48 kJ/mol; (17)Vapour Pressure: 0.118 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Exact Mass: 203.934141; (20)MonoIsotopic Mass: 203.934141; (21)Heavy Atom Count: 9; (22)Complexity: 77.

Preparation of p-Chlorobenzyl bromide: It can be obtained by 1-chloro-4-methyl-benzene. This reaction needs reagent N-bromosuccinimide and benzoyl peroxideand solvent CCl₄ by heating. The reaction time is 2 hours.

Uses of p-Chlorobenzyl bromide: It reacts with hydrocyanic acid; potassium salt to get (4-chloro-phenyl)-acetonitrile. This reaction needs reagent alcohol.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. 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.  S45: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(Cl)cc1
2. InChI:InChI=1/C7H6BrCl/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2 
3. InChIKey:KQNBRMUBPRGXSL-UHFFFAOYAV