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CAS 951887-50-6

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Ethyl 3,4,5-trichloro-γ-oxobenzenebutanoate

Description:
Ethyl 3,4,5-trichloro-γ-oxobenzenebutanoate is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group and multiple chlorine substituents on a benzene ring. The presence of three chlorine atoms at the 3, 4, and 5 positions of the benzene ring contributes to its reactivity and potential applications in various chemical reactions. The γ-oxobenzenebutanoate structure indicates that it contains a ketone functional group adjacent to a butanoate moiety, which can influence its chemical behavior, including its acidity and reactivity in nucleophilic substitution reactions. This compound may exhibit significant biological activity due to its halogenated nature, which can enhance lipophilicity and alter pharmacokinetic properties. Additionally, the presence of chlorine atoms can affect the compound's stability and solubility in different solvents. As with many halogenated compounds, safety precautions should be taken when handling this substance due to potential toxicity and environmental concerns. Overall, Ethyl 3,4,5-trichloro-γ-oxobenzenebutanoate is a noteworthy compound in the field of organic chemistry and may have applications in pharmaceuticals or agrochemicals.
Formula:C12H11Cl3O3
InChI:InChI=1S/C12H11Cl3O3/c1-2-18-11(17)4-3-10(16)7-5-8(13)12(15)9(14)6-7/h5-6H,2-4H2,1H3
InChI key:InChIKey=PPWWWBMZAFAZDS-UHFFFAOYSA-N
SMILES:C(CCC(OCC)=O)(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1
Synonyms:
  • Ethyl 3,4,5-trichloro-γ-oxobenzenebutanoate
  • Benzenebutanoic acid, 3,4,5-trichloro-γ-oxo-, ethyl ester
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