Cas no 87533-54-8 (Ethanone, 1,1'-(5-nitro-1,3-phenylene)bis-)

Ethanone, 1,1'-(5-nitro-1,3-phenylene)bis-, is a specialized aromatic diketone derivative featuring a nitro-substituted phenylene core. This compound is of interest in synthetic organic chemistry due to its bifunctional reactivity, enabling its use as a versatile intermediate in the preparation of heterocyclic compounds, pharmaceuticals, and advanced materials. The presence of the nitro group enhances electrophilic properties, facilitating further functionalization. Its rigid aromatic structure contributes to stability, while the carbonyl groups offer sites for nucleophilic addition or condensation reactions. Suitable for controlled reactions, this diketone is valued in research and industrial applications requiring precise molecular frameworks. Handle with standard safety precautions for nitroaromatic compounds.
Ethanone, 1,1'-(5-nitro-1,3-phenylene)bis- structure
87533-54-8 structure
Product Name:Ethanone, 1,1'-(5-nitro-1,3-phenylene)bis-
CAS No:87533-54-8
MF:C10H9NO4
MW:207.182762861252
MDL:MFCD22544427
CID:655277
PubChem ID:18461639
Update Time:2025-06-07

Ethanone, 1,1'-(5-nitro-1,3-phenylene)bis- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1,1'-(5-nitro-1,3-phenylene)bis-
    • 1-(3-acetyl-5-nitrophenyl)ethanone
    • DTXSID00594070
    • AB77815
    • FCNQLDWFEQWBCR-UHFFFAOYSA-N
    • 5-nitro-1,3-diacetylbenzene
    • 1,1'-(5-Nitro-1,3-phenylene)di(ethan-1-one)
    • SCHEMBL7137680
    • 1,1'-(5-Nitro-1,3-phenylene)diethanone
    • 3,5-diacetylnitrobenzene
    • 87533-54-8
    • MDL： MFCD22544427
    • Inchi： 1S/C10H9NO4/c1-6(12)8-3-9(7(2)13)5-10(4-8)11(14)15/h3-5H,1-2H3
    • InChI Key： FCNQLDWFEQWBCR-UHFFFAOYSA-N
    • SMILES： O=C(C)C1C=C(C=C(C(C)=O)C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 207.05315777g/mol
  • Monoisotopic Mass: 207.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 272
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 80?2

Ethanone, 1,1'-(5-nitro-1,3-phenylene)bis- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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