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CAS 1000341-18-3

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3-Amino-5-cyanobenzoic acid

Description:
3-Amino-5-cyanobenzoic acid, also known by its IUPAC name, is an aromatic compound characterized by the presence of both an amino group (-NH2) and a cyano group (-CN) attached to a benzoic acid structure. This compound features a benzene ring with a carboxylic acid (-COOH) functional group, which contributes to its acidity. The amino group is located at the meta position relative to the carboxylic acid, while the cyano group is positioned at the para location. This arrangement influences the compound's reactivity and solubility properties. 3-Amino-5-cyanobenzoic acid is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the amino and carboxylic acid groups. It is often used in organic synthesis and as an intermediate in the production of dyes, pharmaceuticals, and other chemical compounds. Additionally, its unique functional groups allow for various chemical reactions, making it a valuable compound in research and industrial applications.
Formula:C8H6N2O2
InChI:InChI=1S/C8H6N2O2/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3H,10H2,(H,11,12)
InChI key:InChIKey=CCWVOHSNQZFXQU-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC(C#N)=CC(N)=C1
Synonyms:
  • Benzoic acid, 3-amino-5-cyano-
  • 3-Amino-5-cyanobenzoic acid
  • Reaxys ID: 19565846
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