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Β-Bromoethyl-benzene CAS No.:103-63-9

Β-Bromoethyl-benzene CAS No.:103-63-9

(2-Bromoethyl)benzene Specification The 2-Phenylethyl bromide with CAS registry number of 103-63-9 is also known as Benzene,(2-bromoethyl)-. The IUPAC name is 2-Bromoethylbenzene. Its EINECS registry number is 203-130-8. In addition, the formula is C8H9Br and the molecular weight is 185.08. This...

Name

(2-Bromoethyl)benzene

EINECS

203-130-8

CAS No.

103-63-9

Density

1.366 g/cm3

Solubility

Miscible with ether, benzene, insoluble in water

Melting Point

-56 °C

Formula

C8H9Br

Boiling Point

220.5 °C at 760 mmHg

Molecular Weight

185.08

Flash Point

89.4 °C

Transport Information


Appearance

Colourless to yellow liquid

Safety

26-37/39

Risk Codes

22-36-36/37/38

Molecular Structure

1.jpg

Hazard Symbols

5(001).jpgXn

Synonyms

2-Bromoethyl benzene;1-Bromo-2-phenylethane;1-Phenyl-2-bromoethane;2-Bromo-1-phenylethane;2-Phenethyl    bromide;2-Phenyl-1-bromoethane;2-Phenylbromoethane;2-Phenylethylbromide;NSC 33926;Phenethyl bromide;Phenylethyl bromide;b-Bromoethylbenzene;b-Phenethyl    bromide;b-Phenylethyl bromide;




(2-Bromoethyl)benzene Specification

The 2-Phenylethyl bromide with CAS registry number of 103-63-9 is also known as Benzene,(2-bromoethyl)-. The IUPAC name is 2-Bromoethylbenzene. Its EINECS registry number is 203-130-8. In addition, the formula is C8H9Br and the molecular weight is 185.08. This chemical is a colourless to yellow liquid that miscible with ether, benzene but insoluble in water. It may cause damage to health and should be stored away from oxidants. What's more, this chemical is used as pharmaceutical and pesticide intermediates, and it is also used for organic synthesis.

Physical properties about 2-Phenylethyl bromide are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.12; (6)ACD/BCF (pH 7.4): 131.12; (7)ACD/KOC (pH 5.5): 1141.38; (8)ACD/KOC (pH 7.4): 1141.38; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.556; (11)Molar Refractivity: 43.53 cm3; (12)Molar Volume: 135.4 cm3; (13)Surface Tension: 37.8 dyne/cm; (14)Density: 1.366 g/cm3; (15)Flash Point: 89.4 °C; (16)Enthalpy of Vaporization: 43.83 kJ/mol; (17)Boiling Point: 220.5 °C at 760 mmHg; (18)Vapour Pressure: 0.167 mmHg at 25 °C.

Preparation of 2-Phenylethyl bromide: it is prepared by reaction of phenylethanol with hydrogen bromide. Firstly, phenylethanol is heated to 110 °C and hydrogen bromide is slowly passed into for refluxing. After reaction, the reaction mixture is cooled, washed with water, 10% sodium carbonate solution and water by turns. At last, product is obtained by drying with anhydrous potassium carbonate, vacuum distillation and collecting distillate at 97-99 °C. The yield is about 90%.

Uses of 2-Phenylethyl bromide: it is used to produce 1-phenethyl-piperidine by reaction with piperidine. The reaction occurs with solvent toluene and other condition of heating for 24 hours. The yield is about 36%.

1.jpg


When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful if swallowed. During using it, wear suitable gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:

1. Canonical SMILES: C1=CC=C(C=C1)CCBr

2. InChI: InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

3. InChIKey: WMPPDTMATNBGJN-UHFFFAOYSA-N


The toxicity data is as follows:

Organism

Test Type

Route

Reported Dose(Normalized Dose)

Effect

Source

rat

LD50

oral

811mg/kg (811mg/kg)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

National Technical Information Service. Vol. OTS0536710,

Hot Tags: β-bromoethyl-benzene CAS No.:103-63-9, China, manufacturers, suppliers, factory, made in China
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