1-Bromo-4-propylbenzene Chemical Properties

Melting point:

-41.4°C

Boiling point:

225 °C(lit.)

Density 

1.286 g/mL at 25 °C(lit.)

vapor pressure 

4.7Pa at 25℃

refractive index 

n20/D 1.537(lit.)

Flash point:

203 °F

storage temp. 

Inert atmosphere,Room Temperature

form 

Liquid

color 

Clear colorless to slightly yellow

Specific Gravity

1.286

Water Solubility 

2.867mg/L at 20℃

InChI

InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3

InChIKey

NUPWGLKBGVNSJX-UHFFFAOYSA-N

SMILES

C1(Br)=CC=C(CCC)C=C1

LogP

4.9 at 25℃

CAS DataBase Reference

588-93-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

29036990

MSDS

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

1-Bromo-4-propylbenzene Usage And Synthesis

Description

1-Bromo-4-propylbenzene is an aliphatic hydrocarbon compound containing a bromine functional group in its structure. This feature is crucial for its role in chemical reactions for synthesising other complex structures. 1-Bromo-4-propylbenzene can be used to prepare cyclopalladium catalysts.

Chemical Properties

Clear colorless to slightly yellow liquid

Uses

Intermediates of Liquid Crystals

Flammability and Explosibility

Not classified

Synthesis

General procedure: 236 g of 1,4-dibromobenzene, 185 g of bromopropane and 1 liter of anhydrous tetrahydrofuran were added to a 2-liter three-neck flask under nitrogen protection. Subsequently, 204 g of zinc chloride, 36 g of magnesium powder and 18 g of iron acetylacetonate were added as catalyst. The reaction mixture was heated to about 40°C under stirring conditions and the reaction started immediately. The reaction temperature was maintained at no more than 60°C for 8 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the reaction was quenched by the addition of 200 ml of water. The tetrahydrofuran solvent was recovered by distillation and the residue was diluted with 500 mL of toluene. The toluene layer was separated, washed twice sequentially with 200 mL of saturated brine and dried over anhydrous sodium sulfate. The dried solution was filtered and the filtrate recovered toluene by distillation. Finally, the 94-97 °C/10 mmHg fraction was collected by vacuum distillation to give 170 g of 4-propylbromobenzene in 85% yield.

References

[1] Patent: CN106278811, 2017, A. Location in patent: Paragraph 0035-0047

1-Bromo-4-propylbenzene(588-93-2)Related Product Information

• 4'-Bromopropiophenone
• 3,5-Diisopropylbenzene hydroperoxide
• N-PROPYLBENZENE
• Bromoxynil
• 4-Bromobenzaldehyde
• Cumene
• 4-Bromofluorobenzene
• 4-Bromophenethyl alcohol
• 2-Bromofluorobenzene
• 3-Bromoanisole
• Bromoxynil octanoate
• 3-(4-Bromophenyl)propionic acid
• 2-Bromobenzonitrile
• 4'-Bromobutyrophenone
• 4'-Bromo-2-phenylacetophenone
• 4'-BROMO-3-CHLOROPROPIOPHENONE
• Dicumyl peroxide
• Bromine