Benzonitrile, 4-fluoro-3,5-dimethyl-


Chemical Name: Benzonitrile, 4-fluoro-3,5-dimethyl-
CAS Number: 867367-02-0
Product Number: AG00GY78(AGN-PC-02MP7G)
Synonyms:
MDL No:
Molecular Formula: C9H8FN
Molecular Weight: 149.1649

Identification/Properties


Computed Properties
Molecular Weight:
149.168g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
149.064g/mol
Monoisotopic Mass:
149.064g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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


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Chemical Structure



4-Fluoro-3,5-dimethylbenzonitrile, also known as $name$, is a versatile compound widely utilized in chemical synthesis. Its primary application lies in its ability to serve as a key building block in the production of various pharmaceuticals, agrochemicals, and fine chemicals.In chemical synthesis, 4-Fluoro-3,5-dimethylbenzonitrile acts as a valuable intermediate, allowing chemists to introduce specific functional groups and structural motifs into target molecules. Its unique combination of fluorine and methyl groups provides opportunities for synthetic modifications that can enhance the desired properties of the final products.This compound is particularly valued for its role in designing and manufacturing biologically active compounds, such as pharmaceutical drugs and pesticides. By incorporating 4-Fluoro-3,5-dimethylbenzonitrile into synthetic pathways, chemists can tailor the molecular structure of the end products to optimize their efficacy, stability, and safety profiles.Overall, the strategic use of 4-Fluoro-3,5-dimethylbenzonitrile in chemical synthesis enables the efficient and precise creation of a wide range of valuable chemical compounds with diverse applications in various industries. Through its versatile reactivity and functionality, this compound contributes significantly to the advancements in modern chemistry and the development of novel materials with important practical implications.