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CAS 728-56-3

:

2-[[2-Nitro-4-(trifluoromethyl)phenyl]thio]acetic acid

Description:
2-[[2-Nitro-4-(trifluoromethyl)phenyl]thio]acetic acid, with the CAS number 728-56-3, is a chemical compound characterized by its unique structure that includes a thioether linkage and a nitro group. This compound typically appears as a solid at room temperature and is soluble in organic solvents, reflecting its polar functional groups. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its reactivity and biological activity. The nitro group contributes to its electron-withdrawing properties, which can affect the acidity of the carboxylic acid functional group. This compound is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential applications in drug development and as a biochemical tool. Safety data indicates that, like many nitro compounds, it should be handled with care, as it may pose health risks upon exposure. Proper storage and handling protocols are essential to ensure safety in laboratory environments.
Formula:C9H6F3NO4S
InChI:InChI=1S/C9H6F3NO4S/c10-9(11,12)5-1-2-7(18-4-8(14)15)6(3-5)13(16)17/h1-3H,4H2,(H,14,15)
InChI key:InChIKey=UKWVKDJZWQVZEH-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(SCC(O)=O)C=CC(C(F)(F)F)=C1
Synonyms:
  • Acetic acid, [(α,α,α-trifluoro-2-nitro-p-tolyl)thio]-
  • 2-[[2-Nitro-4-(trifluoromethyl)phenyl]thio]acetic acid
  • (2-Nitro-4-trifluoromethyl-phenylsulfanyl)-acetic acid
  • Acetic acid, 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-
  • Acetic acid, [[2-nitro-4-(trifluoromethyl)phenyl]thio]-
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