4-CHLOROPHENETHYL BROMIDE 97

The 4-Chlorophenethyl bromide is an organic compound with the formula C₈H₈BrCl. The systematic name of this chemical is 1-(2-bromoethyl)-4-chlorobenzene. With the CAS registry number 6529-53-9, it is also named as Benzene, 1-(2-bromoethyl)-4-chloro-. The molecular weight is 219.50612.

The other characteristics of 4-Chlorophenethyl bromide can be summarized as: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 371.46; (6)ACD/BCF (pH 7.4): 371.46; (7)ACD/KOC (pH 5.5): 2405.17; (8)ACD/KOC (pH 7.4): 2405.17; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 48.42 cm³; (15)Molar Volume: 147.3 cm³; (16)Polarizability: 19.19×10^-24 cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.489 g/cm³; (19)Flash Point: 118 °C; (20)Enthalpy of Vaporization: 45.69 kJ/mol; (21)Boiling Point: 239.3 °C at 760 mmHg ; (22)Vapour Pressure: 0.0623 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also has risk of serious damage to the eyes. It is also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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. So people should avoid release it to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1ccc(cc1)CCBr
2. InChI:InChI=1/C8H8BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
3. InChIKey:YAFMYKFAUNCQPU-UHFFFAOYAH