Cas no 10387-05-0 (1-(3,4-Dinitrophenyl)ethanone)

1-(3,4-Dinitrophenyl)ethanone structure
1-(3,4-Dinitrophenyl)ethanone structure
Product Name:1-(3,4-Dinitrophenyl)ethanone
CAS No:10387-05-0
MF:C8H6N2O5
MW:210.1436419487
CID:1091005
PubChem ID:21482474
Update Time:2025-04-20

1-(3,4-Dinitrophenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(3,4-Dinitrophenyl)ethanone
    • MFCD27920805
    • SCHEMBL11690925
    • SY300484
    • DB-342628
    • 3 inverted exclamation mark ,4 inverted exclamation mark -Dinitroacetophenone
    • Ethanone, 1-(3,4-dinitrophenyl)-
    • AKOS022186054
    • 10387-05-0
    • Inchi: 1S/C8H6N2O5/c1-5(11)6-2-3-7(9(12)13)8(4-6)10(14)15/h2-4H,1H3
    • InChI Key: NRWMSJRLIZWNTJ-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=CC(=C(C=1)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 210.02768
  • Monoisotopic Mass: 210.028
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 292
  • 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: 1.2
  • Topological Polar Surface Area: 109A^2

Experimental Properties

  • PSA: 103.35
  • LogP: 2.75200

1-(3,4-Dinitrophenyl)ethanone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: Vanadate(7-), nickelatedeca-μ-oxohexa-μ3-oxodi-μ4-oxodi-μ5-oxodi-μ6-oxohexadecao… Solvents: Acetonitrile ,  Water ;  7 h, 70 °C
Reference
Novel C-N bond cleavage and formation in the polyoxometalates-catalyzed oxidation of nitroaromatics with 30% aqueous H2O2: An unprecedented disproportionation of nitroaromatics affording dinitroaromatics
Gao, Feixue; Hua, Ruimao, Inorganica Chimica Acta, 2005, 358(13), 4045-4048

1-(3,4-Dinitrophenyl)ethanone Raw materials

1-(3,4-Dinitrophenyl)ethanone Preparation Products

1-(3,4-Dinitrophenyl)ethanone Related Literature

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