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2-Bromochlorobenzene CAS No.:694-80-4

2-Bromochlorobenzene CAS No.:694-80-4

2-Bromochlorobenzene Specification The Benzene,1-bromo-2-chloro- with CAS registry number of 694-80-4 is also called 2-Chlorobromobenzene. Its EINECS registry number is 211-775-1. The IUPAC name is 1-bromo-2-chlorobenzene. In addition, the molecular formula is C6H4BrCl and the molecular weight...

Name

2-Bromochlorobenzene

EINECS

211-775-1

CAS No.

694-80-4

Density

1.628 g/cm3

Solubility

0.045 G/L (25 ºC)

Melting Point

-13--11°C

Formula

C6H4BrCl

Boiling Point

203.4 °C at 760 mmHg

Molecular Weight

191.45

Flash Point

79.4 °C

Transport Information

UN 1230

Appearance


Safety

26-45-36/37/39

Risk Codes

36/37/38-39/23/24/25-20/22

Molecular Structure

1.jpg

Hazard Symbols

5(001).jpgXn; 


3(001).jpgXi; 


6.jpgT

Synonyms

1-Bromo-2-chlorobenzene;1-Chloro-2-bromobenzene;2-Bromo-1-chlorobenzene;2-Bromochlorobenzene;2-Bromophenyl    chloride;2-Chlorobromobenzene;2-Chlorophenyl bromide;o-Bromochlorobenzene;o-Bromophenyl chloride;o-Chlorobromobenzene;




2-Bromochlorobenzene Specification

The Benzene,1-bromo-2-chloro- with CAS registry number of 694-80-4 is also called 2-Chlorobromobenzene. Its EINECS registry number is 211-775-1. The IUPAC name is 1-bromo-2-chlorobenzene. In addition, the molecular formula is C6H4BrCl and the molecular weight is 191.45. It is a kind of clear colorless to yellow-orange liquid and belongs to the classes of Bromine Compounds; Chlorine Compounds; Chloro; Aryl; C6; Halogenated Hydrocarbons; A-BAlphabetic; Alpha Sort; B; BI - BZChemical Class; BromoChemical Class; Halogenated; Volatiles/ Semivolatiles.

Physical properties about this chemical are: (1)ACD/LogP: 3.50; (2)ACD/LogD (pH 5.5): 3.5; (3)ACD/LogD (pH 7.4): 3.5; (4)ACD/BCF (pH 5.5): 266.84; (5)ACD/BCF (pH 7.4): 266.84; (6)ACD/KOC (pH 5.5): 1898.09; (7)ACD/KOC (pH 7.4): 1898.09; (8)Index of Refraction: 1.574; (9)Molar Refractivity: 38.83 cm3; (10)Molar Volume: 117.5 cm3; (11)Polarizability: 15.39 ×10-24cm3; (12)Surface Tension: 38.9 dyne/cm; (13)Density: 1.628 g/cm3; (14)Flash Point: 79.4 °C; (15)Enthalpy of Vaporization: 42.17 kJ/mol; (16)Boiling Point: 203.4 °C at 760 mmHg; (17)Vapour Pressure: 0.397 mmHg at 25°C.

Preparation of Benzene,1-bromo-2-chloro-: it can be prepared by o-chloroaniline. Diazotize the o-chloroaniline at first, then mix with hydrobromic acid at temperature of 0 °C. Then add sodium nitrite solution quickly with stirring. You should control the reaction temperature below 10 °C. And then add copper chloride into the mixture. Heat it to boiling, then add the o-chloroaniline diazo liquid. You should control the adding speed of the diazo liquid. After the reaction, seperate the organic phase from distillate, and wash it by concentrated sulfuric acid, water and sodium hydroxide solution. At last, you should collect 199-201 °C fractions through distillation.

Uses of Benzene,1-bromo-2-chloro-: it can be used as intermediate in organic synthesis and solvent. And it can react with pyrrolidin-2-one to produce 1-(2-chloro-phenyl)-pyrrolidin-2-one. This reaction will need reagent potassium acetate, catalyst copper catalyst RCH 60/35 and solvent 1,3,5-trimethyl-benzene. The reaction time is 7 hours by heating. The yield is about 37%.


When you are using this chemical, please be cautious about it as the following:

It is harmful by inhalation and if swallowed. This chemical is toxic by inhalation, in contact with skin and if swallowed. And it irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:

(1)SMILES: Clc1ccccc1Br

(2)InChI: InChI=1/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H

(3)InChIKey: QBELEDRHMPMKHP-UHFFFAOYAF


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