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CAS 87776-75-8

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3-Chloro-4-(methylthio)benzeneacetic acid

Description:
3-Chloro-4-(methylthio)benzeneacetic acid, with the CAS number 87776-75-8, is an organic compound characterized by its aromatic structure and functional groups. It features a benzene ring substituted with a chlorine atom at the 3-position and a methylthio group at the 4-position, along with an acetic acid moiety. This compound is typically a solid at room temperature and is soluble in organic solvents, reflecting its hydrophobic characteristics due to the aromatic and thioether components. The presence of the carboxylic acid group contributes to its acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. Its chlorinated and thioether functionalities may impart unique reactivity and biological activity, making it of interest in pharmaceutical and agrochemical research. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, 3-Chloro-4-(methylthio)benzeneacetic acid is a compound of interest in synthetic organic chemistry and potential applications in medicinal chemistry.
Formula:C9H9ClO2S
InChI:InChI=1S/C9H9ClO2S/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI key:InChIKey=RUUPIFBYMDGMPN-UHFFFAOYSA-N
SMILES:S(C)C1=C(Cl)C=C(CC(O)=O)C=C1
Synonyms:
  • (3-Chloro-4-methylsulfanylphenyl)acetic acid
  • 2-[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid
  • 3-Chloro-4-(methylthio)benzeneacetic acid
  • 3-Chloro-4-methylthiophenylacetic acid
  • Benzeneacetic Acid, 3-Chloro-4-(Methylthio)-
  • [3-Chloro-4-(methylsulfanyl)phenyl]acetic acid
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