CAS 1159013-47-4

2-(Chloromethyl)-4,5-difluorobenzonitrile

Description:

2-(Chloromethyl)-4,5-difluorobenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with both a chloromethyl group and a difluorobenzonitrile moiety. The presence of the chloromethyl group introduces a reactive site, making it useful in various chemical reactions, such as nucleophilic substitutions. The difluorobenzonitrile component contributes to its polarity and potential reactivity, as the fluorine atoms can influence the electronic properties of the molecule. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical properties are influenced by the electron-withdrawing nature of the fluorine and nitrile groups, which can affect its reactivity and interactions with other substances. Due to its unique structure, it may have applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Safety precautions should be taken when handling this compound, as it may pose health risks due to its reactive functional groups.

Formula: C₈H₄ClF₂N

InChI: InChI=1S/C8H4ClF2N/c9-3-5-1-7(10)8(11)2-6(5)4-12/h1-2H,3H2

InChI key: InChIKey=ZVADAJJBNFVJJL-UHFFFAOYSA-N

SMILES: C(Cl)C1=C(C#N)C=C(F)C(F)=C1

Synonyms:

• 2-(Chloromethyl)-4,5-difluorobenzonitrile
• Benzonitrile, 2-(chloromethyl)-4,5-difluoro-