CAS 2051-99-2

1-Bromo-4-(2-methylpropyl)benzene

Description:

1-Bromo-4-(2-methylpropyl)benzene, also known as p-bromo-α-isobutyl toluene, is an organic compound characterized by a bromine atom attached to the para position of a benzene ring, which is further substituted with a 2-methylpropyl group. This compound is a colorless to pale yellow liquid at room temperature and is typically insoluble in water but soluble in organic solvents such as ether and chloroform. It exhibits a moderate boiling point and density, reflecting its aromatic nature and the presence of the bulky 2-methylpropyl substituent. The bromine atom introduces reactivity, making it a useful intermediate in organic synthesis, particularly in electrophilic substitution reactions. Additionally, the compound's structure suggests potential applications in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Safety precautions should be observed when handling this substance, as it may pose health risks, including skin and respiratory irritation. Proper storage in a cool, dry place away from light is recommended to maintain its stability.

Formula: C₁₀H₁₃Br

InChI: InChI=1S/C10H13Br/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3

InChI key: InChIKey=BVBHVVRVSMBCPW-UHFFFAOYSA-N

SMILES: C(C(C)C)C1=CC=C(Br)C=C1

Synonyms:

• 1-Bromo-4-(2-methylpropyl)benzene
• 4-Bromoisobutylbenzene
• 4-Isobutylbromobenzene
• 4-Isobutylphenyl bromide
• Benzene, 1-bromo-4-(2-methylpropyl)-
• Benzene, 1-bromo-4-isobutyl-
• p-Bromisobutylbenzene
• p-Isobutylbromobenzene
• 1-Bromo-4-isobutylbenzene

Benzene, 1-bromo-4-(2-methylpropyl)-

CAS: 2051-99-2

Formula: C₁₀H₁₃Br

Purity: 95%

Color and Shape: Liquid

Molecular weight: 213.1142

Ref: IN-DA0029VY

1-Bromo-4-isobutylbenzene

CAS: 2051-99-2

1-Bromo-4-isobutylbenzene

Formula: C₁₀H₁₃Br

Purity: 97%

Color and Shape: clear liquid

Molecular weight: 213.11g/mol

Ref: 54-OR3204

1-Bromo-4-isobutylbenzene

CAS: 2051-99-2

Formula: C₁₀H₁₃Br

Purity: 95%

Color and Shape: Liquid

Molecular weight: 213.118

Ref: 10-F035848

1-Bromo-4-isobutylbenzene

Controlled Product

CAS: 2051-99-2

Applications 1-Bromo-4-isobutylbenzene

Formula: C₁₀H₁₃Br

Color and Shape: Neat

Molecular weight: 213.114

Ref: TR-B696380

1-Bromo-4-isobutylbenzene

CAS: 2051-99-2

1-Bromo-4-isobutylbenzene is a ketone that can be synthesized by the reaction of benzene with acetonitrile in the presence of a catalytic amount of oxone. The synthesis is an example of an arylation, which is the addition of an aromatic group to another molecule. It has been shown experimentally that 1-bromo-4-isobutylbenzene undergoes a transition from the x-ray structure analysis to the crystal x-ray structure when dissolved in acetonitrile and heated to 100°C. The final product is then purified by recrystallization with ethylene as a solvent.

Formula: C₁₀H₁₃Br

Purity: Min. 95%

Molecular weight: 213.11 g/mol

Ref: 3D-CAA05199