1,3-Benzenediamine, 2,4,6-trinitro-

• Formula: C₆H₅N₅O₆
• Molecular weight: 243.1338
• IUPAC Standard InChI: InChI=1S/C6H5N5O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H,7-8H2 Copy

  
• IUPAC Standard InChIKey: FZAZPMLWYUKRAE-UHFFFAOYSA-N Copy
• CAS Registry Number: 1630-08-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • 1,3-Diamino-2,4,6-trinitrobenzene
• Other names: m-Phenylenediamine, 2,4,6-trinitro-; DATB; 1,3-Diamino-2,4,6-trinitrobenzene; 2,4-Diamino-1,3,5-trinitrobenzene; 2,4,6-Trinitro-1,3-benzenediamine; 2,4,6-trinitrobenzene-1,3-diamine
• Information on this page:
  • Condensed phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Rouse, 1976
Rouse, P.E., Jr., Enthalpies of formation and calculated detonation properties of some thermally stable explosives, J. Chem. Eng. Data, 1976, 21, 16-20. [all data]

Handrick, 1956
Handrick, G.R., Report of the study of pure explosive compounds. Part IV. Calculation of heat of combustion of organic compounds from structural features and calculation of power of high explosives, Rpt. C-58247 for the Office of the Chief of Ordnance, contract DA-19-020-ORD-47 by the Arthur D. Little, Inc., Cambridge, MA, 1956, 467-573. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, References

• Symbols used in this document:
  

  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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