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CAS 86569-86-0

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Benzoic acid, 2,4,5-trichloro-, ethyl ester

Description:
Benzoic acid, 2,4,5-trichloro-, ethyl ester, with the CAS number 86569-86-0, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features a benzoic acid backbone substituted with three chlorine atoms at the 2, 4, and 5 positions on the aromatic ring, which significantly influences its chemical properties and reactivity. The presence of chlorine atoms enhances its lipophilicity and may impart biological activity, making it of interest in various applications, including as a potential pesticide or herbicide. The ethyl ester group contributes to its solubility in organic solvents, while the overall structure suggests potential for interactions with biological systems. In terms of safety, compounds with chlorine substituents can exhibit toxicity, and appropriate handling precautions should be taken. Its physical properties, such as melting point, boiling point, and solubility, would typically be determined through experimental methods and may vary based on purity and environmental conditions.
Formula:C9H7Cl3O2
InChI:InChI=1S/C9H7Cl3O2/c1-2-14-9(13)5-3-7(11)8(12)4-6(5)10/h3-4H,2H2,1H3
InChI key:InChIKey=DHDXXFMFLDHODO-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(Cl)C=C(Cl)C(Cl)=C1
Synonyms:
  • 2,4,5-Trichloro-benzoic acid ethyl ester
  • Benzoic acid, 2,4,5-trichloro-, ethyl ester
  • Ethyl 2,4,5-trichlorobenzoate
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