4-bromo-5-fluoro-2-methylbenzonitrile


Chemical Name: 4-bromo-5-fluoro-2-methylbenzonitrile
CAS Number: 916792-15-9
Product Number: AG006R9N(AGN-PC-03WMCN)
Synonyms:
MDL No: MFCD07782074
Molecular Formula: C8H5BrFN
Molecular Weight: 214.0344

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
214.037g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
212.959g/mol
Monoisotopic Mass:
212.959g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
186
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



4-Bromo-5-fluoro-2-methylbenzonitrile, also known as $name$, is a valuable chemical intermediate that finds wide application in organic synthesis. This compound serves as a versatile building block for the preparation of various complex organic molecules due to its unique reactivity and structural properties.One prominent application of 4-Bromo-5-fluoro-2-methylbenzonitrile is in the synthesis of pharmaceutical compounds. The presence of both the bromo and fluoro substituents on the aromatic ring provides synthetic chemists with the ability to introduce further functional groups through cross-coupling reactions, such as Suzuki or Heck couplings. This enables the modification and diversification of the molecular structure to fine-tune the biological activity of the resulting pharmaceutical products.Additionally, the nitrile group in 4-Bromo-5-fluoro-2-methylbenzonitrile offers a versatile handle for further derivatization via different chemical reactions, such as nucleophilic substitution or metal-catalyzed transformations. This allows for the incorporation of specific functionalities or structural motifs required for the target molecule's desired properties.Overall, the strategic placement of functional groups in 4-Bromo-5-fluoro-2-methylbenzonitrile makes it a valuable tool in the toolbox of synthetic chemists for the efficient and rational design of novel chemical entities with potential applications in drug discovery and other fields of organic chemistry.