Cas no 39003-36-6 (9,10-Anthracenedione,1,8-dihydroxy-2,5-dinitro-)

9,10-Anthracenedione,1,8-dihydroxy-2,5-dinitro- structure
39003-36-6 structure
Product Name:9,10-Anthracenedione,1,8-dihydroxy-2,5-dinitro-
CAS No:39003-36-6
MF:C14H6N2O8
MW:330.206043720245
CID:305984
PubChem ID:5490206
Update Time:2025-04-19

9,10-Anthracenedione,1,8-dihydroxy-2,5-dinitro- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,1,8-dihydroxy-2,5-dinitro-
    • 1,8-dihydroxy-2,5-dinitroanthracene-9,10-dione
    • 1,8-Dihydroxy-2,5-dinitroanthraquinone
    • EINECS 254-245-5
    • UNII-3NW5H123BP
    • Q27257791
    • 39003-36-6
    • DTXSID5068154
    • 9,10-Anthracenedione, 1,8-dihydroxy-2,5-dinitro-
    • 2,5-Dinitrochrysazin
    • 3NW5H123BP
    • NS00030500
    • Inchi： 1S/C14H6N2O8/c17-8-4-3-6(15(21)22)10-11(8)14(20)9-5(12(10)18)1-2-7(13(9)19)16(23)24/h1-4,17,19H
    • InChI Key： WZFXDVLVEULHSB-UHFFFAOYSA-N
    • SMILES： O=C1C2C(=CC=C(C=2C(C2C=CC(=C(C=21)O)[N+](=O)[O-])=O)[N+](=O)[O-])O

Computed Properties

  • Exact Mass: 330.01238
  • Monoisotopic Mass: 330.012415
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 0
  • Complexity: 597
  • 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
  • Topological Polar Surface Area: 166
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.838
  • Boiling Point: 606.1°Cat760mmHg
  • Flash Point: 255.4°C
  • Refractive Index: 1.782
  • PSA: 160.88

9,10-Anthracenedione,1,8-dihydroxy-2,5-dinitro- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Fuming nitric acid ,  Boric acid (H3BO3)
Reference
An improved procedure for the preparation of 4,5-dinitrochrysazin
Chang, Pong, Synthetic Communications, 1994, 24(7), 931-7

9,10-Anthracenedione,1,8-dihydroxy-2,5-dinitro- Raw materials

9,10-Anthracenedione,1,8-dihydroxy-2,5-dinitro- Preparation Products

9,10-Anthracenedione,1,8-dihydroxy-2,5-dinitro- Related Literature

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