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4-Bromochlorobenzene CAS No.:106-39-8

4-Bromochlorobenzene CAS No.:106-39-8

4-Bromochlorobenzene Specification The 4-Bromochlorobenzene, with the CAS registry number 106-39-8, is also known as 4-Chlorophenyl bromide. It belongs to the product categories of Benzene Based Bromo; A-BAlphabetic; Alpha Sort; B; BromoChemical Class; Chloro; Halogenated; Volatiles/...

Name

4-Bromochlorobenzene

EINECS

203-392-3

CAS No.

106-39-8

Density

1.628 g/cm3;

Solubility

Soluble in hot ethanol, ethyl ether, benzene and chloroform, insoluble in water.

Melting Point

64-67 °C(lit.)

Formula

C6H4BrCl

Boiling Point

192.651 °C at 760 mmHg

Molecular Weight

191.45

Flash Point

78.434 °C

Transport Information

UN 1230 3/PG 2

Appearance

white to almost white crystalline powder

Safety

26-36/37/39-45

Risk Codes

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

Molecular Structure

1.jpg

Hazard Symbols

3(001).jpgXi,


3(001).jpgXn,


6.jpgT

Synonyms

1-Bomo-4-chlorobenzene;1-Chloro-4-bromobenzene;4-Chlorophenyl bromide;4-Chloro-1-bromobenzene;4-Chlorobromobenzene;Benzene, 1-bromo-4-chloro-;p-Bromophenyl chloride;p-Chlorophenyl bromide;p-Bromochlorobenzene;p-Chlorobromobenzene;para-Bromo Chlorobenzene;p-Chlorobromobenzen;4-Bromo Chlorobenzene;




4-Bromochlorobenzene Specification

The 4-Bromochlorobenzene, with the CAS registry number 106-39-8, is also known as 4-Chlorophenyl bromide. It belongs to the product categories of Benzene Based Bromo; A-BAlphabetic; Alpha Sort; B; BromoChemical Class; Chloro; Halogenated; Volatiles/ Semivolatiles; Aryl; C6; Halogenated Hydrocarbons. Its EINECS number is 203-392-3. This chemical's molecular formula is C6H4BrCl and molecular weight is 191.45. What's more, its systematic name is 1-Bromo-4-chlorobenzene. Its classification code is Mutation data. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. It is used as solvent and organic synthesis intermediate.

Physical properties of 4-Bromochlorobenzene are: (1)ACD/LogP: 3.462; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 251.62; (6)ACD/BCF (pH 7.4): 251.62; (7)ACD/KOC (pH 5.5): 1819.97; (8)ACD/KOC (pH 7.4): 1819.97; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 38.838 cm3; (14)Molar Volume: 117.569 cm3; (15)Polarizability: 15.397×10-24cm3; (16)Surface Tension: 38.91 dyne/cm; (17)Density: 1.628 g/cm3; (18)Flash Point: 78.434 °C; (19)Enthalpy of Vaporization: 41.13 kJ/mol; (20)Boiling Point: 192.651 °C at 760 mmHg; (21)Vapour Pressure: 0.67 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(4-chloro-phenyl)-3,3-dimethyl-triazene at the temperature of 40 °C. This reaction will need reagents Bu4N(+)Cl(-), MeSO3H, Cu and solvent acetonitrile with the reaction time of 15 min. The yield is about 82%.

1.jpg

Uses of 4-Bromochlorobenzene: it can be used to produce 4-chloro-aniline at the ambient temperature. It will need reagent Mg and solvent diethyl ether. The yield is about 92%.

2.jpg


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

This chemcial is irritating to eyes, respiratory system and skin. It is harmful by inhalation and if swallowed. This substance is toxic as it has a danger of very serious irreversible effects in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:

(1)SMILES: Clc1ccc(Br)cc1

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

(3)Std. InChIKey: NHDODQWIKUYWMW-UHFFFAOYSA-N 


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