CAS No.16799-05-6,3-CHLOROPHENETHYL BROMIDE, 97% Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16799-05-6
Name:	3-CHLOROPHENETHYL BROMIDE, 97%
Article Data:	11

Formula:	C₈H₈BrCl
Molecular Weight:	219.509
Synonyms:	1-Bromo-2-(3-chlorophenyl)ethane;1-(2-Bromo-ethyl)-3-chloro-benzene;3-Chloro-1-(2-bromoethyl)benzene;3-Chlorophenethyl bromide;
Density:	1.489 g/cm³
Boiling Point:	239.3 °C at 760 mmHg
Flash Point:	118 °C
Hazard Symbols:	Xn,N
Risk Codes:	22-41-51/53
Safety:	26-36/37-39-61
Transport Information:	UN 3082
PSA:	0.00000
LogP:	3.27740

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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