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CAS 30211-77-9

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2-Nitro-5-thiocyanatobenzoic acid

Description:
2-Nitro-5-thiocyanatobenzoic acid is an organic compound characterized by the presence of both a nitro group and a thiocyanate group attached to a benzoic acid structure. The nitro group (-NO2) is an electron-withdrawing group that can influence the compound's reactivity and acidity, while the thiocyanate group (-SCN) can impart unique properties, such as potential coordination with metal ions. This compound typically appears as a solid at room temperature and is soluble in polar solvents. Its chemical structure suggests it may exhibit both acidic and basic properties, depending on the pH of the solution. The presence of the nitro group can also enhance the compound's electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions. Additionally, 2-Nitro-5-thiocyanatobenzoic acid may have applications in organic synthesis, analytical chemistry, and potentially in biological studies due to its functional groups. Safety precautions should be taken when handling this compound, as it may pose health risks if ingested or inhaled.
Formula:C8H4N2O4S
InChI:InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)
InChI key:InChIKey=NQUNIMFHIWQQGJ-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(N(=O)=O)C=CC(SC#N)=C1
Synonyms:
  • 2-Nitro-5-Thiocyanatobenzoate
  • 2-Nitro-5-thiocyanobenzoic acid
  • Benzoic acid, 2-nitro-5-thiocyanato-
  • 2-Nitro-5-thiocyanatobenzoic acid
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