1-Bromo-4-propylbenzene

Basic Information

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CAS Number

588-93-2

Molecular Formula

C9H11Br

Molecular Weight

199.09 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

-41.4°C

Boiling Point

225°C

Refractive Index

n20/D 1.537(lit.)

SMILES

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CCCC1=CC=C(C=C1)Br

InChI

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

InChIKey

NUPWGLKBGVNSJX-UHFFFAOYSA-N

LogP

3.401600000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

82.7

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Z299596168
Benzene, 1-bromo-4-propyl-
FT-0657553
4-n-propylbromobenzene
A8308
FT-0617694
1-Bromo-4-propylbenzene
4-bromo-n-propylbenzene
1-bromo-4-(n-propyl)benzene
InChI=1/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H
1 -bromo-4-propylbenzene
4-propyl bromobenzene
AS-13455
4-BROMO PROPYLBENZENE
NS00003476
1-Bromo-4-propylbenzene, 99%
EN300-65440
NSC97222
B1889
MFCD00012456
AKOS000202591
J-504455
p-bromo-n-propylbenzene
1-bromo-4-propyl-benzene
NSC-97222
588-93-2
1-bromo-4-n-propylbenzene
1-n-propyl-4-bromobenzene
DTXSID80207530
1-(4'-bromophenyl)propane
SCHEMBL415439

MDL Number

MFCD00012456

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-4-propylbenzene (CAS: 588-93-2)?

1-Bromo-4-propylbenzene (CAS: 588-93-2) is a crystalline compound with a molecular weight of approximately 196.16 g/mol. It has a melting point of about 51-53°C and a boiling point of around 205°C. The compound is moderately soluble in common organic solvents such as ethanol and acetone. It is less reactive towards nucleophiles and is typically used in various synthetic reactions. Its solubility and reactivity make it a useful intermediate in organic synthesis.

How is 1-Bromo-4-propylbenzene (CAS: 588-93-2) typically synthesized?

1-Bromo-4-propylbenzene (CAS: 588-93-2) is commonly synthesized via a Friedel-Crafts alkylation reaction. The process involves the reaction of 1-bromobenzene with 1-propyl chloride in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction selectively introduces a 4-propyl group onto the benzene ring, yielding a high yield and good selectivity. This method is widely used in organic synthesis due to its efficiency and reliability.

What industries use 1-Bromo-4-propylbenzene (CAS: 588-93-2)?

1-Bromo-4-propylbenzene (CAS: 588-93-2) is primarily used in the pharmaceutical and polymer industries. In pharmaceuticals, it serves as a building block for the synthesis of various drug molecules. In the polymer industry, it is used to produce functionalized polymers with specific properties. Additionally, it can be utilized in the development of sensors and semiconductors due to its chemical versatility and reactivity.

What precautions should be taken when handling 1-Bromo-4-propylbenzene (CAS: 588-93-2)?

Proper safety measures should be taken when handling 1-Bromo-4-propylbenzene (CAS: 588-93-2). Wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage. Due to its potential to react with water, ensure that it is stored in a dry environment away from moisture and heat sources.