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CAS 886361-52-0

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Benzoic acid, 4-(4-cyano-2-pyridinyl)-, methyl ester

Description:
Benzoic acid, 4-(4-cyano-2-pyridinyl)-, methyl ester, with the CAS number 886361-52-0, is an organic compound characterized by its benzoic acid structure modified with a methyl ester group and a cyano-substituted pyridine moiety. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water. The presence of the cyano group contributes to its potential as a polar functional group, influencing its reactivity and interactions in various chemical environments. It may exhibit biological activity, making it of interest in pharmaceutical research and development. The compound's melting point, boiling point, and specific reactivity can vary based on purity and environmental conditions. As with many organic compounds, safety precautions should be taken when handling, as it may pose health risks if ingested or inhaled. Overall, its unique structural features make it a valuable compound for further study in organic synthesis and medicinal chemistry.
Formula:C14H10N2O2
InChI:InChI=1S/C14H10N2O2/c1-18-14(17)12-4-2-11(3-5-12)13-8-10(9-15)6-7-16-13/h2-8H,1H3
InChI key:InChIKey=FQMWWWCTWQEUFU-UHFFFAOYSA-N
SMILES:C(#N)C=1C=C(N=CC1)C2=CC=C(C(OC)=O)C=C2
Synonyms:
  • Benzoic acid, 4-(4-cyano-2-pyridinyl)-, methyl ester
  • Methyl 4-(4-cyanopyridin-2-yl)benzoate
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