Benzene, (1-chloro-1-methylethyl)-


Chemical Name: Benzene, (1-chloro-1-methylethyl)-
CAS Number: 934-53-2
Product Number: AG00GT1J(AGN-PC-0JL9L6)
Synonyms:
MDL No:
Molecular Formula: C9H11Cl
Molecular Weight: 154.63664

Identification/Properties


Computed Properties
Molecular Weight:
154.637g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
154.055g/mol
Monoisotopic Mass:
154.055g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
10
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

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NMR Spectrum


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Chemical Structure



In chemical synthesis, (1-Chloro-1-methylethyl)benzene, also known as isobutylbenzene, serves as a versatile reagent with a variety of applications. This organic compound is commonly used as a precursor in the synthesis of pharmaceuticals, agrochemicals, and fragrances due to its unique chemical properties. By undergoing various reactions such as Friedel-Crafts alkylation, isobutylbenzene can be transformed into complex structures that are vital in the production of bioactive molecules. Its reactivity and compatibility with a range of functional groups make it a valuable building block for creating new compounds in organic chemistry. Additionally, isobutylbenzene can act as a solvent or a starting material for further derivatization, allowing for the efficient synthesis of diverse chemical products. With its important role in chemical transformations, (1-Chloro-1-methylethyl)benzene contributes significantly to the advancement of synthetic chemistry and the development of innovative molecules.