1-bromo-3-ethylsulfonylbenzene


Chemical Name: 1-bromo-3-ethylsulfonylbenzene
CAS Number: 153435-82-6
Product Number: AG00AKAT(AGN-PC-0BU7UN)
Synonyms:
MDL No: MFCD19982772
Molecular Formula: C8H9BrO2S
Molecular Weight: 249.1249

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
249.122g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
247.951g/mol
Monoisotopic Mass:
247.951g/mol
Topological Polar Surface Area:
42.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
230
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Bromo-3-(ethylsulfonyl)benzene, also known as ethylsulfonyl bromobenzene, is a versatile compound that finds extensive application in chemical synthesis. With its unique molecular structure, this compound serves as an essential building block for the creation of various organic molecules and pharmaceutical compounds.The ethylsulfonyl group attached to the benzene ring provides significant reactivity and specificity in reactions, making 1-Bromo-3-(ethylsulfonyl)benzene a valuable tool for the synthesis of complex organic molecules. This compound is commonly used in cross-coupling reactions, such as Suzuki-Miyaura coupling and Heck reaction, to form carbon-carbon or carbon-heteroatom bonds.Furthermore, the bromine atom in 1-Bromo-3-(ethylsulfonyl)benzene can undergo substitution reactions, allowing for the incorporation of different functional groups into the molecule. This flexibility in chemical reactions makes this compound a key component in the preparation of pharmaceutical intermediates, agrochemicals, and specialty chemicals.Overall, the application of 1-Bromo-3-(ethylsulfonyl)benzene in chemical synthesis offers chemists a powerful tool for the efficient and precise construction of diverse organic compounds with tailored properties and functions.