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CAS 79326-96-8

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Benzenesulfonic acid, 3-nitro-, hydrate (1:1)

Description:
Benzenesulfonic acid, 3-nitro-, hydrate (1:1) is an organic compound characterized by the presence of a nitro group and a sulfonic acid functional group attached to a benzene ring. Its molecular structure features a nitro group (-NO2) at the meta position relative to the sulfonic acid group (-SO3H), which influences its chemical reactivity and solubility. The hydrate form indicates that the compound contains water molecules in its crystalline structure, which can affect its physical properties, such as melting point and solubility in various solvents. This compound is typically a solid at room temperature and is soluble in polar solvents due to the presence of the sulfonic acid group. It is often used in organic synthesis and as an intermediate in the production of dyes, pharmaceuticals, and other chemical products. Safety precautions should be taken when handling this compound, as it may be harmful if ingested or inhaled, and appropriate protective equipment should be used.
Formula:C6H5NO5S·H2O
InChI:InChI=1S/C6H5NO5S.H2O/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);1H2
InChI key:InChIKey=PQEALYGHSZTSEQ-UHFFFAOYSA-N
SMILES:S(=O)(=O)(O)C1=CC(N(=O)=O)=CC=C1.O
Synonyms:
  • Benzenesulfonic acid, 3-nitro-, hydrate (1:1)
  • Benzenesulfonic acid, 3-nitro-, monohydrate
  • 3-Nitrobenzenesulfonic acid hydrate
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