Cas no 15805-42-2 (1,3-Benzenediol,2,4,6-trinitro-, barium salt (1:1))

1,3-Benzenediol,2,4,6-trinitro-, barium salt (1:1) structure
15805-42-2 structure
Product Name:1,3-Benzenediol,2,4,6-trinitro-, barium salt (1:1)
CAS No:15805-42-2
MF:C6HBaN3O8
MW:380.414437055588
CID:155489
PubChem ID:85116
Update Time:2025-04-19

1,3-Benzenediol,2,4,6-trinitro-, barium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediol,2,4,6-trinitro-, barium salt (1:1)
    • barium 2,4,6-trinitroresorcinolate
    • 2,4,6-Trinitro-1,3-phenylenedioxybarium
    • Barium 2,4,6-trinitro-1,3-benzenediolate
    • BARIUM 2,4,6-TRINITRORESORCINOL
    • BARIUMSTYPHNATE
    • Einecs 239-904-7
    • styphninic acid,barium styphnate
    • Styphninsaeure,Barium-styphnat
    • NS00087533
    • SCHEMBL3477551
    • 15805-42-2
    • barium(2+);2,4,6-trinitrobenzene-1,3-diolate
    • 1,3-Benzenediol, 2,4,6-trinitro-, barium salt (1:1)
    • 5-Amino-1-phenyl-1H-pyrazole-4-carboxylicacidethylester
    • DTXSID9065948
    • A3560
    • Inchi： 1S/C6H3N3O8.Ba/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/q;+2/p-2
    • InChI Key： ZACISHMWZUXBDS-UHFFFAOYSA-L
    • SMILES： [Ba+2].[O-]C1C(=CC(=C(C=1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 715.86900
  • Monoisotopic Mass: 380.882
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 317
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 184A^2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: 292.6°Cat760mmHg
  • Flash Point: 126.8°C
  • PSA: 436.10000
  • LogP: 0.13180

1,3-Benzenediol,2,4,6-trinitro-, barium salt (1:1) Security Information

  • Hazardous Material transportation number：0473
  • HazardClass：1.1A

1,3-Benzenediol,2,4,6-trinitro-, barium salt (1:1) Customs Data

  • HS CODE：2920909090
  • Customs Data：

    China Customs Code:

    2920909090

    Overview:

    2920909090 Other inorganic esters(Esters excluding hydrogen halide)(Including its salts and their halogenation,sulfonation,Nitration and nitrosation derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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