3-Fluoro-5-formylbenzonitrile


Chemical Name: 3-Fluoro-5-formylbenzonitrile
CAS Number: 1003708-42-6
Product Number: AG0001R2(AGN-PC-078JPT)
Synonyms:
MDL No:
Molecular Formula: C8H4FNO
Molecular Weight: 149.1219

Identification/Properties


Computed Properties
Molecular Weight:
149.124g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
149.028g/mol
Monoisotopic Mass:
149.028g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
196
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



3-Fluoro-5-formylbenzonitrile, also known as $name$, is a versatile compound that finds wide application in chemical synthesis. Its unique structure and reactivity make it a valuable building block in organic chemistry.One key application of 3-Fluoro-5-formylbenzonitrile is as a precursor in the synthesis of heterocyclic compounds. By undergoing various chemical transformations, this compound can be used to introduce functional groups such as amines, alcohols, or carboxylic acids into the final product. These functionalized heterocycles have applications in pharmaceuticals, agrochemicals, and materials science.Furthermore, 3-Fluoro-5-formylbenzonitrile can also be utilized in the synthesis of fluorinated organic molecules. The presence of a fluorine atom in its structure imparts unique properties to the final compounds, such as altered reactivity, enhanced stability, or improved pharmacokinetic profiles. This makes it a valuable tool for medicinal chemists and material scientists working on developing novel fluorinated compounds.Overall, 3-Fluoro-5-formylbenzonitrile plays a crucial role in the realm of chemical synthesis, enabling the creation of diverse and complex molecules with potential applications across various industries.