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CAS 951886-85-4

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Ethyl 2-chloro-4-(methylthio)-γ-oxobenzenebutanoate

Description:
Ethyl 2-chloro-4-(methylthio)-γ-oxobenzenebutanoate, with the CAS number 951886-85-4, is a chemical compound that belongs to the class of esters. It features a complex structure characterized by the presence of a chloro group, a methylthio group, and an oxo group, which contribute to its reactivity and potential applications in organic synthesis. The compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents, which makes it useful in various chemical reactions. The presence of the chloro and methylthio substituents can influence its biological activity, making it of interest in medicinal chemistry and agrochemical research. As with many organic compounds, safety precautions should be taken when handling this substance, as it may pose health risks if ingested or inhaled. Its specific properties, such as boiling point, melting point, and reactivity, would need to be determined through experimental data or literature for practical applications.
Formula:C13H15ClO3S
InChI:InChI=1S/C13H15ClO3S/c1-3-17-13(16)7-6-12(15)10-5-4-9(18-2)8-11(10)14/h4-5,8H,3,6-7H2,1-2H3
InChI key:InChIKey=QQINEMKKDYRFHQ-UHFFFAOYSA-N
SMILES:C(CCC(OCC)=O)(=O)C1=C(Cl)C=C(SC)C=C1
Synonyms:
  • Ethyl 2-chloro-4-(methylthio)-γ-oxobenzenebutanoate
  • Benzenebutanoic acid, 2-chloro-4-(methylthio)-γ-oxo-, ethyl ester
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