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CAS 58458-11-0

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2-Amino-6-(trifluoromethyl)benzonitrile

Description:
2-Amino-6-(trifluoromethyl)benzonitrile is an organic compound characterized by the presence of an amino group and a trifluoromethyl group attached to a benzene ring that also contains a nitrile functional group. Its molecular structure features a benzene core with a cyano group (-C≡N) and an amino group (-NH2) at the ortho position relative to each other, while the trifluoromethyl group (-CF3) is located at the meta position. This compound is typically a solid at room temperature and exhibits properties such as moderate solubility in polar organic solvents. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its reactivity and biological activity. 2-Amino-6-(trifluoromethyl)benzonitrile may be utilized in various applications, including pharmaceuticals and agrochemicals, due to its potential as a building block in synthetic chemistry. Safety data should be consulted for handling, as compounds with trifluoromethyl groups can exhibit unique toxicological profiles.
Formula:C8H5F3N2
InChI:InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-3-7(13)5(6)4-12/h1-3H,13H2
InChI key:InChIKey=HKKKKTUZACXWLU-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C#N)C(N)=CC=C1
Synonyms:
  • 2-Amino-6-trifluoromethylbenzonitrile
  • 2-Cyano-3-(trifluoromethyl)aniline
  • 2-Amino-6-(trifluoromethyl)benzonitrile
  • Benzonitrile, 2-amino-6-(trifluoromethyl)-
  • 3-Amino-2-cyanobenzotrifluoride
  • 3-Amino-2-cyanobenzotrifluoride, 2-Cyano-3-(trifluoromethyl)aniline
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