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CAS 1239720-33-2

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4-Amino-3-bromo-5-nitrobenzonitrile

Description:
4-Amino-3-bromo-5-nitrobenzonitrile is an organic compound characterized by the presence of an amino group, a bromo substituent, and a nitro group on a benzene ring that is also attached to a nitrile functional group. This compound features a complex structure that includes a six-membered aromatic ring, which contributes to its stability and reactivity. The amino group (-NH2) typically imparts basic properties, while the nitro group (-NO2) is known for its electron-withdrawing characteristics, influencing the compound's reactivity in electrophilic aromatic substitution reactions. The presence of the bromo group (-Br) adds to the compound's versatility in synthetic applications, as it can participate in various coupling reactions. The nitrile group (-C≡N) enhances the compound's polarity and can serve as a site for further chemical modifications. Overall, 4-Amino-3-bromo-5-nitrobenzonitrile is of interest in medicinal chemistry and materials science due to its potential applications in drug development and as an intermediate in organic synthesis.
Formula:C7H4BrN3O2
InChI:InChI=1S/C7H4BrN3O2/c8-5-1-4(3-9)2-6(7(5)10)11(12)13/h1-2H,10H2
InChI key:InChIKey=CXFJPTGXTQYIPO-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(N)C(Br)=CC(C#N)=C1
Synonyms:
  • 4-Amino-3-bromo-5-nitrobenzonitrile
  • Benzonitrile, 4-amino-3-bromo-5-nitro-
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