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CAS 91085-56-2

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Benzoic acid, 3,5-dichloro-, ethyl ester

Description:
Benzoic acid, 3,5-dichloro-, ethyl ester, with the CAS number 91085-56-2, is an organic compound that belongs to the class of benzoate esters. It is characterized by the presence of a benzoic acid moiety substituted with two chlorine atoms at the 3 and 5 positions of the aromatic ring, along with an ethyl ester functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its moderate solubility in organic solvents and limited solubility in water. The presence of chlorine atoms enhances its reactivity and can influence its biological activity, making it of interest in various chemical applications, including as a potential intermediate in organic synthesis. Additionally, the compound may exhibit antimicrobial properties, which can be relevant in agricultural or pharmaceutical contexts. Safety data should be consulted for handling and exposure guidelines, as halogenated compounds can pose environmental and health risks.
Formula:C9H8Cl2O2
InChI:InChI=1S/C9H8Cl2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3
InChI key:InChIKey=JRLNLVFPSMDPLU-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(Cl)=CC(Cl)=C1
Synonyms:
  • 3,5-Dichlorobenzoic Acid Ethyl Ester
  • Benzoic Acid, 3,5-Dichloro-, Ethyl Ester
  • Ethyl 3,5-dichlorobenzoate
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