2-Bromo-1,4-dichlorobenzene Chemical Properties

Melting point:

32-36 °C(lit.)

Boiling point:

118-120°C 20mm

Density 

1.6351 (rough estimate)

refractive index 

1.5700 (estimate)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

form 

powder to lump to clear liquid

color 

White or Colorless to Light orange to Yellow

Water Solubility 

insoluble

BRN 

1934815

InChI

InChI=1S/C6H3BrCl2/c7-5-3-4(8)1-2-6(5)9/h1-3H

InChIKey

OVXVQBCRONSPDC-UHFFFAOYSA-N

SMILES

C1(Cl)=CC=C(Cl)C=C1Br

CAS DataBase Reference

1435-50-3(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 2-bromo-1,4-dichloro-(1435-50-3)

EPA Substance Registry System

Benzene, 2-bromo-1,4-dichloro- (1435-50-3)

Safety Information

Hazard Codes 

Xi,T

Risk Statements 

36/37/38

Safety Statements 

26-36-28A

WGK Germany 

3

Hazard Note 

Toxic

HazardClass 

IRRITANT

HS Code 

29039990

MSDS

• Language:English Provider:2-Bromo-1,4-dichlorobenzene
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2-Bromo-1,4-dichlorobenzene Usage And Synthesis

Chemical Properties

white to light yellow crystal powder

Uses

2-Bromo-1,4-dichlorobenzene is a reactant used in the synthesis of C-13 and C-14-labeled versions of the investigational proteasome inhibitor MLN9708.

Synthesis

General procedure for the synthesis of 1-bromo-2,5-dichlorobenzene and 1,4-dibromo-2,5-dichlorobenzene from 1,4-dichlorobenzene: 147.0 g (1.00 mol) of 1,4-dichlorobenzene was accurately weighed in a reactor, and 515 g of carbon tetrachloride was added as a solvent to make it completely soluble. Subsequently, 7.35 g of anhydrous aluminum chloride was added to the solution as a catalyst and after stirring for 15 minutes, the temperature of the reaction system was raised to 35°C. At this temperature, dropwise addition of 105.6 g (0.66 mol) of bromine was initiated at a constant dropwise acceleration, and the dropwise process lasted for 9 hours to complete. Upon completion of the reaction, 200.0 g of 5% mass fraction sodium bisulfite solution was added to the reaction mixture until the color of the mixture changed to colorless. After standing and layering, the organic phase was separated and the resulting carbon tetrachloride layer was concentrated. Eventually, 73.0 g (0.50 mol) of unreacted 1,4-dichlorobenzene, 111.5 g (0.48 mol) of 1-bromo-2,5-dichlorobenzene and 7.1 g (0.02 mol) of 1,4-dibromo-2,5-dichlorobenzene were obtained by distillation.

References

[1] Green Chemistry, 2012, vol. 14, # 9, p. 2380 - 2383
[2] Patent: CN105801334, 2016, A. Location in patent: Paragraph 0066

2-Bromo-1,4-dichlorobenzene(1435-50-3)Related Product Information

• 2-Bromobenzonitrile
• Brompheniramine
• Lobenzarit disodium
• 1,2-Dibromobenzene
• 1,2,4-Trichlorobenzene
• Brompheniramine hydrogen maleate
• 1,2-Dichlorobenzene
• 4-Bromobenzotrifluoride
• 2,4-Dichlorobenzyl chloride
• 1,4-Dichlorobenzene
• Permethrin
• Bromoxynil octanoate
• 2-Bromofluorobenzene
• 4-Bromoanisole
• 1,3-Dichlorobenzene
• Bromine
• 4-Bromo-1,2-dichlorobenzene, 98+%,1-Bromo-3,4-dichlorobenzene, 98+%,4-BROMO-1,2-DICHLOROBENZENE,1-BROMO-3,4-DICHLOROBENZENE
• 1-BROMO-3,5-DICHLOROBENZENE