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CAS 49674-28-4

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3-Amino-5-(trifluoromethyl)benzonitrile

Description:
3-Amino-5-(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 ring substituted at the 3-position with an amino group (-NH2) and at the 5-position with a trifluoromethyl group (-CF3), while the nitrile group (-C≡N) is typically located at the 1-position. This compound is known for its potential applications in pharmaceuticals and agrochemicals due to the presence of the trifluoromethyl group, which can enhance biological activity and lipophilicity. The amino group can participate in hydrogen bonding, influencing the compound's solubility and reactivity. Additionally, the nitrile group contributes to the compound's overall polarity and can serve as a site for further chemical modifications. Overall, 3-Amino-5-(trifluoromethyl)benzonitrile is a versatile compound with significant implications in synthetic organic chemistry.
Formula:C8H5F3N2
InChI:InChI=1S/C8H5F3N2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3H,13H2
InChI key:InChIKey=UMUDGXVSXIXLCF-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(C#N)=CC(N)=C1
Synonyms:
  • 3-Amino-5-(trifluoromethyl)benzonitrile
  • 3-Amino-5-Trifluoromethylbenzonitrile
  • 5-Amino-a,a,a-trifluoro-m-tolunitrile
  • Benzonitrile, 3-amino-5-(trifluoromethyl)-
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