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


Chemical Name: Benzene, 1-bromo-4-(2-methylpropyl)-
CAS Number: 2051-99-2
Product Number: AG0029VY(AGN-PC-0L036M)
Synonyms:
MDL No:
Molecular Formula: C10H13Br
Molecular Weight: 213.1142

Identification/Properties


Computed Properties
Molecular Weight:
213.118g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
2
Exact Mass:
212.02g/mol
Monoisotopic Mass:
212.02g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
101
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Bromo-4-isobutylbenzene, a versatile chemical compound, is a crucial intermediate in organic synthesis. This compound finds extensive application in various chemical transformations due to its unique reactivity and structural properties. In chemical synthesis, 1-Bromo-4-isobutylbenzene serves as a valuable building block for the preparation of diverse organic compounds. By undergoing different reactions such as substitution, elimination, and coupling reactions, this compound can be used to synthesize complex molecules with specific functionalities. Its distinctive structure, with a bromine atom and an isobutyl group attached to a benzene ring, allows for strategic manipulation in organic reactions to introduce desired chemical moieties. Additionally, 1-Bromo-4-isobutylbenzene can participate in cross-coupling reactions to form carbon-carbon bonds, enabling the synthesis of aromatic compounds, pharmaceuticals, agrochemicals, and materials with tailored properties. Its role in chemical synthesis highlights its significance as a key intermediate for developing innovative molecules and advancing the field of organic chemistry.