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CAS 1227581-80-7

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2-Nitro-6-(trifluoromethyl)benzonitrile

Description:
2-Nitro-6-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a nitro group and a trifluoromethyl group attached to a benzene ring. The presence of the nitro group (-NO2) introduces significant polarity and can influence the compound's reactivity, making it a potential electrophile in various chemical reactions. The trifluoromethyl group (-CF3) is known for its electron-withdrawing properties, enhancing the compound's stability and affecting its solubility in different solvents. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its unique electronic properties and potential for further functionalization. Additionally, its structure suggests that it may exhibit interesting physical properties, such as melting and boiling points, which are influenced by the interactions between the functional groups and the aromatic system. Safety data should be consulted for handling and storage, as compounds with nitro and trifluoromethyl groups can pose specific hazards.
Formula:C8H3F3N2O2
InChI:InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-3-7(13(14)15)5(6)4-12/h1-3H
InChI key:InChIKey=YRZJMLWYQLTJHS-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C(F)(F)F)C=CC=C1N(=O)=O
Synonyms:
  • 2-Nitro-6-(trifluoromethyl)benzonitrile
  • Benzonitrile, 2-nitro-6-(trifluoromethyl)-
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