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CAS 73981-96-1

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Benzoic acid, 2,4,6-trichloro-, ethyl ester

Description:
Benzoic acid, 2,4,6-trichloro-, ethyl ester, with the CAS number 73981-96-1, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features a benzene ring substituted with three chlorine atoms at the 2, 4, and 6 positions, which significantly influences its chemical properties, including increased reactivity and potential for biological activity. The presence of chlorine atoms enhances its lipophilicity, making it more soluble in organic solvents. Typically, this compound is used in various applications, including as a chemical intermediate in the synthesis of other organic compounds and potentially in agricultural formulations. Its physical properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity of the sample. As with many chlorinated compounds, it is essential to handle this substance with care due to potential environmental and health impacts, including toxicity and persistence in the environment. Proper safety measures should be observed when working with this chemical.
Formula:C9H7Cl3O2
InChI:InChI=1S/C9H7Cl3O2/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4H,2H2,1H3
InChI key:InChIKey=RUTZFTVBPCFIIQ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(Cl)C=C(Cl)C=C1Cl
Synonyms:
  • Ethyl 2,4,6-trichlorobenzoate
  • Benzoic acid, 2,4,6-trichloro-, ethyl ester
  • 2,4,6-Trichlorobenzoic acid ethyl ester
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