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CAS 5435-66-5

:

1-(3-Nitrophenyl)-1,3-butanedione

Description:
1-(3-Nitrophenyl)-1,3-butanedione, with the CAS number 5435-66-5, is an organic compound characterized by its diketone structure, featuring a butanedione backbone substituted with a nitrophenyl group. This compound typically appears as a yellow to orange crystalline solid, indicating its potential for strong light absorption due to the presence of the nitro group, which can also influence its reactivity and solubility. The nitrophenyl moiety enhances the compound's electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions and as a potential intermediate in organic synthesis. Its properties may include moderate to high melting and boiling points, depending on the specific conditions and purity. Additionally, 1-(3-Nitrophenyl)-1,3-butanedione may exhibit biological activity, which could be of interest in pharmaceutical research. As with many nitro compounds, it is essential to handle this substance with care due to potential toxicity and environmental concerns.
Formula:C10H9NO4
InChI:InChI=1S/C10H9NO4/c1-7(12)5-10(13)8-3-2-4-9(6-8)11(14)15/h2-4,6H,5H2,1H3
InChI key:InChIKey=LENGHKYAWBMFDH-UHFFFAOYSA-N
SMILES:C(CC(C)=O)(=O)C1=CC(N(=O)=O)=CC=C1
Synonyms:
  • (m-Nitrobenzoyl)acetone
  • 1,3-Butanedione, 1-(3-Nitrophenyl)-
  • 1,3-Butanedione, 1-(m-nitrophenyl)-
  • 1-(3-Nitrophenyl)-1,3-butanedione
  • NSC 21485
  • 1-(3-Nitrophenyl)butane-1,3-dione
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