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CAS 1628431-65-1

:

Benzoic acid, 4-amino-2-cyano-, methyl ester

Description:
Benzoic acid, 4-amino-2-cyano-, methyl ester, identified by its CAS number 1628431-65-1, is an organic compound characterized by the presence of a benzoic acid moiety with an amino group and a cyano group at specific positions on the aromatic ring. This compound typically appears as a solid or crystalline substance and is soluble in organic solvents, reflecting its polar functional groups. The presence of the amino group suggests potential for hydrogen bonding, which can influence its reactivity and interactions with other molecules. The cyano group contributes to the compound's overall polarity and can participate in nucleophilic addition reactions. As an ester, it may undergo hydrolysis under acidic or basic conditions, releasing methanol and forming the corresponding acid. This compound may have applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of other chemical entities. Its specific properties, such as melting point, boiling point, and spectral characteristics, would need to be determined through experimental methods or referenced from chemical databases.
Formula:C9H8N2O2
InChI:InChI=1S/C9H8N2O2/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-4H,11H2,1H3
InChI key:InChIKey=NUXNORSXWRMRPH-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C#N)C=C(N)C=C1
Synonyms:
  • Benzoic acid, 4-amino-2-cyano-, methyl ester
  • Methyl 4-amino-2-cyanobenzoate
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