Cas no 32255-35-9 (Methanone,(2,4-dinitrophenyl)(2,4,6-trinitrophenyl)-)

Methanone,(2,4-dinitrophenyl)(2,4,6-trinitrophenyl)- structure
32255-35-9 structure
Product Name:Methanone,(2,4-dinitrophenyl)(2,4,6-trinitrophenyl)-
CAS No:32255-35-9
MF:C13H5N5O11
MW:407.205702543259
CID:318031
PubChem ID:141690
Update Time:2025-04-19

Methanone,(2,4-dinitrophenyl)(2,4,6-trinitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Methanone,(2,4-dinitrophenyl)(2,4,6-trinitrophenyl)-
    • 2,2',4,4',6-Pentanitrobenzophenone
    • (2,4-dinitrophenyl)-(2,4,6-trinitrophenyl)methanone
    • 32255-35-9
    • DTXSID30186008
    • SCHEMBL11773214
    • Inchi: 1S/C13H5N5O11/c19-13(8-2-1-6(14(20)21)3-9(8)16(24)25)12-10(17(26)27)4-7(15(22)23)5-11(12)18(28)29/h1-5H
    • InChI Key: SZWQTMLLIXBBNS-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 406.99855
  • Monoisotopic Mass: 406.999
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 2
  • Complexity: 706
  • 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: 2.4
  • Topological Polar Surface Area: 246?2

Experimental Properties

  • Density: 1.795
  • Boiling Point: 718.2°C at 760 mmHg
  • Flash Point: 367°C
  • Refractive Index: 1.711
  • PSA: 232.77

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