Benzene,1-(bromomethyl)-2-chloro- (611-17-6)

The IUPAC name of o-Chlorobenzyl bromide is 1-(bromomethyl)-2-chlorobenzene. With the CAS registry number 611-17-6, it is also named as Toluene, alpha-bromo-o-chloro-. The product's categorie is benzyl. It is clear yellow liquid which is soluble in benzene and chloroform. In addition, this chemical can decompose in hot water. Furthermore, it should be 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: 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 acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 43.79 cm³; (14)Molar Volume: 130.8 cm³; (15)Polarizability: 17.36×10^-24 cm³; (16)Surface Tension: 41.4 dyne/cm; (17)Enthalpy of Vaporization: 45.28 kJ/mol; (18)Vapour Pressure: 0.0777 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 203.934141; (21)MonoIsotopic Mass: 203.934141; (22)Heavy Atom Count: 9; (23)Complexity: 85.

Preparation of o-Chlorobenzyl bromide: o-Chlorotoluene reacts with bromine in the light, and then carry on vacuum distillation of brominated products. We collect 100-120 °C (1.33kPa) fractions. The yield is 98%.

Uses of o-Chlorobenzyl bromide: It can be used in organic synthesis. For example: It reacts with pyridine to get 1-(2-chloro-benzyl)-pyridinium; bromide. This reaction needs reagent tetrahydrothiophene 1,1-dioxide at ambient temperature. The reaction time is 3 days. The yield is 60%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. And it is also irritating to eyes and respiratory system. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. 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:BrCc1ccccc1Cl
2. InChI:InChI=1/C7H6BrCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
3. InChIKey:PURSZYWBIQIANP-UHFFFAOYAV