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CAS 3038-47-9

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2-(Trifluoromethyl)benzeneacetonitrile

Description:
2-(Trifluoromethyl)benzeneacetonitrile, also known by its CAS number 3038-47-9, is an organic compound characterized by the presence of a trifluoromethyl group (-CF3) attached to a benzene ring, along with an acetonitrile functional group (-C≡N). This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its relatively low volatility and high stability under standard conditions. The trifluoromethyl group imparts unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its reactivity in various chemical reactions. 2-(Trifluoromethyl)benzeneacetonitrile is often utilized in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to serve as a versatile building block. Additionally, it may exhibit interesting biological activities, making it a subject of research in medicinal chemistry. Proper handling and storage are essential, as with many fluorinated compounds, to mitigate any potential hazards associated with their use.
Formula:C9H6F3N
InChI:InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
InChI key:InChIKey=QXDCZSJGEUSERL-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(CC#N)C=CC=C1
Synonyms:
  • (α,α,α-Trifluoro-o-tolyl)acetonitrile
  • 1-[2-(Trifluoromethyl)phenyl]acetonitrile
  • 2-(2-Trifluoromethylphenyl)ethanenitrile
  • 2-(Trifluoromethyl)benzeneacetonitrile
  • 2-[2-(Trifluoromethyl)phenyl]acetonitrile
  • Acetonitrile, (α,α,α-trifluoro-o-tolyl)-
  • Benzeneacetonitrile, 2-(trifluoromethyl)-
  • o-Trifluoromethylbenzyl cyanide
  • 2-(Trifluoromethyl)phenylacetonitrile
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