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CAS 905600-49-9

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2-Iodo-3-(trifluoromethyl)benzonitrile

Description:
2-Iodo-3-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with both an iodine atom and a trifluoromethyl group, as well as a nitrile functional group. The presence of the iodine atom contributes to its reactivity, particularly in nucleophilic substitution reactions, while the trifluoromethyl group enhances its lipophilicity and can influence its electronic properties. The nitrile group (-C≡N) is known for its polar character and can participate in various chemical reactions, including hydrolysis and reduction. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its unique structural features that can modulate biological activity. Additionally, its physical properties, such as solubility and melting point, are influenced by the presence of the halogen and the nitrile group, making it a compound of interest in material science and medicinal chemistry.
Formula:C8H3F3IN
InChI:InChI=1S/C8H3F3IN/c9-8(10,11)6-3-1-2-5(4-13)7(6)12/h1-3H
InChI key:InChIKey=CGUFWPQURMBLMB-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(I)C(C#N)=CC=C1
Synonyms:
  • 2-Iodo-3-(trifluoromethyl)benzonitrile
  • Benzonitrile, 2-iodo-3-(trifluoromethyl)-
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