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CAS 31557-87-6

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4-[(cyanoacetyl)amino]benzoate

Description:
4-[(Cyanoacetyl)amino]benzoate, also known by its CAS number 31557-87-6, is an organic compound characterized by its structure, which includes a benzoate moiety substituted with a cyanoacetylamino group. This compound typically appears as a crystalline solid and is soluble in polar organic solvents. The presence of both cyano and acetyl functional groups contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and condensation reactions. Its molecular structure suggests that it may exhibit biological activity, potentially serving as an intermediate in the synthesis of pharmaceuticals or agrochemicals. The compound's properties, such as melting point, boiling point, and specific reactivity, can vary based on environmental conditions and the presence of other substances. As with many organic compounds, safety precautions should be taken when handling 4-[(cyanoacetyl)amino]benzoate, as it may pose health risks if ingested or inhaled.
Formula:C10H7N2O3
InChI:InChI=1/C10H8N2O3/c11-6-5-9(13)12-8-3-1-7(2-4-8)10(14)15/h1-4H,5H2,(H,12,13)(H,14,15)/p-1
SMILES:c1cc(ccc1C(=O)O)NC(=O)CC#N
Synonyms:
  • Benzoic acid, 4-[(2-cyanoacetyl)amino]-
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