4'-BROMO-3-CHLOROPROPIOPHENONE Chemical Properties

Melting point:

54-59 °C(lit.)

Boiling point:

333.8±27.0 °C(Predicted)

Density 

1.5182 (rough estimate)

vapor pressure 

0.016Pa at 25℃

refractive index 

1.5963 (estimate)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

form 

powder

color 

White

Water Solubility 

36mg/L at 20℃

BRN 

1944367

LogP

3.2 at 22℃

CAS DataBase Reference

31736-73-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

RIDADR 

UN1759

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

2914790090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4'-BROMO-3-CHLOROPROPIOPHENONE Usage And Synthesis

Chemical Properties

light yellow to light brown crystalline powder

General Description

4′-Bromo-3-chloropropiophenone, a halogenated propiophenone derivative, is also known as 1-(4-bromophenyl)-3-chloro-1-propanone. Its molecular geometry has been studied based on density functional theory (DFT) calculations, FTIR and FT Raman spectra.

Flammability and Explosibility

Not classified

Synthesis

The general procedure for the synthesis of 4'-bromo-3-chloropropiophenone from bromobenzene, compound (CAS:161386-38-5) and 3-chloropropionyl chloride was as follows: first, a solution was prepared by dissolving 3-chloropropionyl chloride (15 mL) in methylene chloride (10 mL). Subsequently, the solution was slowly added to a stirring suspension of aluminum chloride (20.1 g) in methylene chloride (35 mL) and the mixture was stirred at room temperature for 15 minutes. Next, the dichloromethane (10 mL) mixture of bromobenzene (15 mL) was added in batches over a period of 1 hour. After addition, the reaction mixture continued to be stirred at room temperature for 16 hours. Upon completion of the reaction, the mixture was quenched by pouring it into a mixture of ice and 1N aqueous hydrochloric acid. The organic phase was separated, washed sequentially with water and saturated aqueous sodium bicarbonate, dried (using MgSO?), and the solvent evaporated. Finally, the residue was purified by column chromatography using a 15:1 mixture of petroleum ether and ethyl acetate as eluent to afford the target product 4-bromophenyl 2-chloroethyl ketone (27.9 g, 85% yield).

References

[1] Patent: US5332757, 1994, A

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