Cas no 3058-38-6 (s-Triaminotrinitrobenzene (DISCONTINUED))

s-Triaminotrinitrobenzene (DISCONTINUED) structure
3058-38-6 structure
Product Name:s-Triaminotrinitrobenzene (DISCONTINUED)
CAS No:3058-38-6
MF:C6H6N6O6
MW:258.148439884186
CID:306892
PubChem ID:18286
Update Time:2025-04-19

s-Triaminotrinitrobenzene (DISCONTINUED) Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Benzenetriamine,2,4,6-trinitro-
    • s-Triaminotrinitrobenzene
    • 2,4,6-trinitrobenzene-1,3,5-triamine
    • s-Triaminotrinitrobe
    • 1,3,5-Triamino-2,4,6-trinitrobenzene
    • 2,4,6-Trinitro-1,3,5-benzenetriamine
    • NSC 243156
    • sym-Triaminotrinitrobenzene
    • TATB
    • NSC243156
    • 1,3,5-Benzenetriamine, 2,4,6-trinitro-
    • 1,5-Triamino-2,4,6-trinitrobenzene
    • 1,5-Benzenetriamine, 2,4,6-trinitro-
    • SCHEMBL438677
    • 3-13-00-00556 (Beilstein Handbook Reference)
    • Q420723
    • NS00022025
    • EINECS 221-297-5
    • CJP3UNX7Z7
    • NSC-243156
    • TATB cpd
    • 3058-38-6
    • UNII-CJP3UNX7Z7
    • BRN 2225411
    • J-018029
    • TRINITRO-1,3,5-BENZENETRIAMINE, 2,4,6-
    • 2,6-Trinitro-1,3,5-benzenetriamine
    • 2,4,6-triamino-1,3,5-trinitrobenzene
    • FT-0675393
    • AKOS030239774
    • DTXSID8062818
    • s-Triaminotrinitrobenzene (DISCONTINUED)
    • Inchi: 1S/C6H6N6O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16/h7-9H2
    • InChI Key: JDFUJAMTCCQARF-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(=C(C(=C(C=1N)[N+](=O)[O-])N)[N+](=O)[O-])N)=O

Computed Properties

  • Exact Mass: 258.03498
  • Monoisotopic Mass: 258.034882
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 297
  • 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: 216
  • XLogP3: 1

Experimental Properties

  • Density: 1.958
  • Melting Point: 350.0 °C
  • Boiling Point: 669.5°Cat760mmHg
  • Flash Point: 358.7°C
  • Refractive Index: 1.844
  • PSA: 207.48

s-Triaminotrinitrobenzene (DISCONTINUED) Security Information

  • Hazardous Material transportation number:0081
  • HazardClass:1.1D
  • PackingGroup:II
  • Packing Group:II
  • Hazard Level:1.1

s-Triaminotrinitrobenzene (DISCONTINUED) Pricemore >>

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