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Benzene,1-(2-bromoethyl)-3-chloro-

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Name

Benzene,1-(2-bromoethyl)-3-chloro-

EINECS N/A
CAS No. 16799-05-6 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 UN 3082 Appearance N/A
Safety 26-36/37-39-61 Risk Codes 22-41-51/53
Molecular Structure Molecular Structure of 16799-05-6 (3-CHLOROPHENETHYL BROMIDE, 97%) Hazard Symbols HarmfulXn,DangerousN
Synonyms

1-Bromo-2-(3-chlorophenyl)ethane;1-(2-Bromo-ethyl)-3-chloro-benzene;3-Chloro-1-(2-bromoethyl)benzene;3-Chlorophenethyl bromide;

Article Data 11

Benzene,1-(2-bromoethyl)-3-chloro- Specification

The Benzene,1-(2-bromoethyl)-3-chloro-, with the CAS registry number 16799-05-6, is also known as 1-Bromo-2-(3-chlorophenyl)ethane. This chemical's molecular formula is C8H8BrCl and molecular weight is 219.51. What's more, its IUPAC name is 1-(2-bromoethyl)-3-chlorobenzene.

Physical properties of Benzene,1-(2-bromoethyl)-3-chloro- are: (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: 19.19×10-24cm3; (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:
This chemical may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. It is harmful if swallowed. What's more, the product has a serious damage to eyes. It is toxic to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. At last, you should avoid release to the environment. Refer to special instructions/safety data sheet when you are using it.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)CCBr
(2)Std. InChI: InChI=1S/C8H8BrCl/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
(3)Std. InChIKey: LKPWGXCMVLJRIK-UHFFFAOYSA-N

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