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CAS 86776-54-7

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

Description:
Benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester, identified by the CAS number 86776-54-7, 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 heptyl chain, contributing to its hydrophobic properties, while the presence of a cyano group and a fluorine atom on the aromatic ring enhances its reactivity and potential applications in various chemical processes. The cyano group introduces a strong electron-withdrawing effect, which can influence the compound's acidity and reactivity, while the fluorine atom can impart unique electronic and steric properties. Typically, such compounds may exhibit moderate solubility in organic solvents and limited solubility in water due to their hydrophobic nature. They may also possess interesting thermal and chemical stability, making them suitable for applications in materials science, pharmaceuticals, and agrochemicals. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity and environmental impact.
Formula:C21H22FNO2
InChI:InChI=1S/C21H22FNO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)21(24)25-19-13-12-18(15-23)20(22)14-19/h8-14H,2-7H2,1H3
InChI key:InChIKey=BJTUQNRKEMWBHS-UHFFFAOYSA-N
SMILES:C(OC1=CC(F)=C(C#N)C=C1)(=O)C2=CC=C(CCCCCCC)C=C2
Synonyms:
  • 4-Cyano-3-fluorophenyl 4-heptylbenzoate
  • Benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester
  • FCHB
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