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CAS 385383-52-8

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Methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]benzoate

Description:
Methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]benzoate, with the CAS number 385383-52-8, is a chemical compound characterized by its complex structure that includes a benzoate moiety and a pyridine ring substituted with a chlorine atom and a trifluoromethyl group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as stability and potential reactivity due to the presence of the thioether linkage. The trifluoromethyl group contributes to its lipophilicity and may enhance its biological activity, making it of interest in pharmaceutical applications. The chlorine atom can also influence the compound's electronic properties and reactivity. Methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]benzoate may be utilized in various chemical syntheses or as an intermediate in the development of agrochemicals or pharmaceuticals, reflecting its potential utility in medicinal chemistry. Safety and handling precautions should be observed due to the presence of halogenated and sulfur-containing functionalities, which may pose environmental and health risks.
Formula:C14H9ClF3NO2S
InChI:InChI=1S/C14H9ClF3NO2S/c1-21-13(20)9-4-2-3-5-11(9)22-12-10(15)6-8(7-19-12)14(16,17)18/h2-7H,1H3
InChI key:InChIKey=ZCZVFEXDWULTOG-UHFFFAOYSA-N
SMILES:S(C1=C(C(OC)=O)C=CC=C1)C2=C(Cl)C=C(C(F)(F)F)C=N2
Synonyms:
  • Methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]benzoate
  • Benzoic acid, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-, methyl ester
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