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4-Chlorophenethyl bromide

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Name

4-Chlorophenethyl bromide

EINECS 613-774-5
CAS No. 6529-53-9 Density 1.489 g/cm3
PSA 0.00000 LogP 3.27740
Solubility N/A Melting Point N/A
Formula C8H8BrCl Boiling Point 239.3 °C at 760 mmHg
Molecular Weight 219.509 Flash Point 118 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-61 Risk Codes 22-41-51/53
Molecular Structure Molecular Structure of 6529-53-9 (4-CHLOROPHENETHYL BROMIDE  97) Hazard Symbols HarmfulXn, DangerousN
Synonyms

1-(2-Bromoethyl)-4-chlorobenzene;1-Bromo-2-(4-chlorophenyl)ethane;1-Chloro-4-(2-bromoethyl)benzene;2-(4-Chlorophenyl)ethyl bromide;2-(p-Chlorophenyl)ethyl bromide;4-Chlorophenethyl bromide;p-Chloro-b-phenethyl bromide;p-Chlorophenethyl bromide;4-Chloro-1-(2-bromoethyl)benzene;

Article Data 23

4-Chlorophenethyl bromide Specification

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

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