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CAS 898792-76-2

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Ethyl 4-fluoro-η-oxobenzeneoctanoate

Description:
Ethyl 4-fluoro-η-oxobenzeneoctanoate, identified by its CAS number 898792-76-2, is an organic compound characterized by its ester functional group, which is formed from the reaction of an alcohol and a carboxylic acid. This compound features a fluoro-substituted aromatic ring, which can influence its reactivity and physical properties, such as polarity and solubility. The presence of the octanoate chain contributes to its hydrophobic characteristics, making it less soluble in water but more soluble in organic solvents. The fluoro group can enhance the compound's stability and alter its electronic properties, potentially affecting its interactions in biological systems or chemical reactions. Ethyl 4-fluoro-η-oxobenzeneoctanoate may be of interest in various applications, including pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Its specific characteristics, such as melting point, boiling point, and reactivity, would depend on the molecular structure and the environment in which it is used. As with any chemical substance, proper handling and safety measures should be observed due to potential hazards associated with its use.
Formula:C16H21FO3
InChI:InChI=1S/C16H21FO3/c1-2-20-16(19)8-6-4-3-5-7-15(18)13-9-11-14(17)12-10-13/h9-12H,2-8H2,1H3
InChI key:InChIKey=OOMSAHDJCGZEKE-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=CC=C(F)C=C1
Synonyms:
  • Benzeneoctanoic acid, 4-fluoro-η-oxo-, ethyl ester
  • Ethyl 4-fluoro-η-oxobenzeneoctanoate
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