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CAS 261952-02-7

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2-Methyl-3-(trifluoromethyl)benzonitrile

Description:
2-Methyl-3-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, featuring a benzene ring substituted with a methyl group and a trifluoromethyl group, along with a nitrile functional group. The presence of the trifluoromethyl group significantly influences its chemical properties, enhancing its lipophilicity and potentially affecting its reactivity and biological activity. This compound is typically a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its applications in various fields, including pharmaceuticals and agrochemicals, due to its unique electronic properties and ability to participate in diverse chemical reactions. The nitrile group contributes to its polar character, making it soluble in polar solvents while being less soluble in non-polar solvents. Safety data indicates that, like many fluorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Overall, 2-Methyl-3-(trifluoromethyl)benzonitrile is a valuable compound in synthetic organic chemistry and material science.
Formula:C9H6F3N
InChI:InChI=1S/C9H6F3N/c1-6-7(5-13)3-2-4-8(6)9(10,11)12/h2-4H,1H3
InChI key:InChIKey=HXGUSYYIWFJFGY-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C)C(C#N)=CC=C1
Synonyms:
  • 2-Methyl-3-(trifluoromethyl)benzonitrile
  • 2-Methyl-3-trifluoromethylbenzonitrile
  • Benzonitrile, 2-methyl-3-(trifluoromethyl)-
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