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CAS 161320-00-9

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4-Iodo-3-(trifluoromethyl)benzonitrile

Description:
4-Iodo-3-(trifluoromethyl)benzonitrile is an organic compound characterized by the presence of a benzonitrile structure, which features a cyano group (-C≡N) attached to a benzene ring. The compound is substituted with an iodine atom at the para position and a trifluoromethyl group (-CF3) at the meta position relative to the cyano group. This substitution pattern influences its chemical reactivity and physical properties. The presence of the trifluoromethyl group typically enhances lipophilicity and can affect the compound's electronic properties, making it a useful building block in medicinal chemistry and materials science. The iodine atom can participate in various reactions, including nucleophilic substitutions, while the cyano group can serve as a versatile functional group for further chemical transformations. The compound is likely to be a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure makes it of interest for applications in pharmaceuticals, agrochemicals, and as an intermediate in organic synthesis.
Formula:C8H3F3IN
InChI:InChI=1/C8H3F3IN/c9-8(10,11)6-3-5(4-13)1-2-7(6)12/h1-3H
SMILES:c1cc(c(cc1C#N)C(F)(F)F)I
Synonyms:
  • 5-Cyano-2-Iodobenzotrifluoride
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