Benzene, 4-bromo-2-fluoro-1-(1-methylethoxy)-


Chemical Name: Benzene, 4-bromo-2-fluoro-1-(1-methylethoxy)-
CAS Number: 202865-80-3
Product Number: AG0028I6(AGN-PC-0KKVEG)
Synonyms:
MDL No:
Molecular Formula: C9H10BrFO
Molecular Weight: 233.0775

Identification/Properties


Computed Properties
Molecular Weight:
233.08g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
231.99g/mol
Monoisotopic Mass:
231.99g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
141
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:
H302-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



4-Bromo-2-fluoro-1-isopropoxybenzene is a versatile compound that finds widespread application in chemical synthesis. This specific compound's ability to serve as a key building block in the preparation of various organic molecules makes it highly valuable in the field of chemistry. Due to its unique structure and reactivity, 4-Bromo-2-fluoro-1-isopropoxybenzene is commonly used in the synthesis of pharmaceuticals, agrochemicals, and materials science.One prominent application of 4-Bromo-2-fluoro-1-isopropoxybenzene lies in its role as a substrate for cross-coupling reactions. Utilizing palladium-catalyzed coupling methodologies, this compound can be coupled with various organometallic reagents to form complex molecules with multiple functional groups. This feature makes it an essential component in the synthesis of biologically active compounds and advanced materials.Furthermore, 4-Bromo-2-fluoro-1-isopropoxybenzene can also be employed in the construction of heterocyclic compounds. By undergoing various cyclization reactions, this compound can participate in the formation of diverse ring systems, enabling the creation of molecules with specific pharmacological properties or interesting properties for materials science applications.In conclusion, the strategic incorporation of 4-Bromo-2-fluoro-1-isopropoxybenzene in chemical synthesis enables the efficient construction of complex molecules with tailored functionalities for applications in pharmaceuticals, agrochemicals, and materials science.