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CAS 86776-52-5

:

Benzoic acid, 4-butyl-, 4-cyano-3-fluorophenyl ester

Description:
Benzoic acid, 4-butyl-, 4-cyano-3-fluorophenyl ester, identified by the CAS number 86776-52-5, is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and an alcohol. This compound features a butyl group, a cyano group, and a fluorine atom attached to a phenyl ring, contributing to its unique chemical properties. The presence of the cyano group (–CN) enhances its reactivity and polarity, while the fluorine atom (–F) can influence its electronic properties and stability. The butyl group (–C4H9) adds hydrophobic characteristics, affecting solubility in various solvents. This compound may exhibit interesting biological activities and could be of interest in pharmaceutical or agrochemical applications. Its physical properties, such as melting point, boiling point, and solubility, would depend on the specific molecular interactions and the overall structure. As with many organic compounds, safety data and handling precautions should be considered due to potential toxicity or reactivity.
Formula:C18H16FNO2
InChI:InChI=1S/C18H16FNO2/c1-2-3-4-13-5-7-14(8-6-13)18(21)22-16-10-9-15(12-20)17(19)11-16/h5-11H,2-4H2,1H3
InChI key:InChIKey=IBUUMDHMTARCSQ-UHFFFAOYSA-N
SMILES:C(OC1=CC(F)=C(C#N)C=C1)(=O)C2=CC=C(CCCC)C=C2
Synonyms:
  • 3-Fluoro-4-cyanophenyl 4-butylbenzoate
  • 3-Fluoro-4-cyanophenyl4-butylbenzoate
  • 4-Beb(F)-C
  • 4-Cyano-3-fluorophenyl 4-butylbenzoate
  • Me 4N.F
  • Pzg-4-N
  • Benzoic acid, 4-butyl-, 4-cyano-3-fluorophenyl ester
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