1,3,5-Benzenetriamine, 2,4,6-trinitro-

• Formula: C₆H₆N₆O₆
• Molecular weight: 258.1484
• IUPAC Standard InChI: InChI=1S/C6H6N6O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16/h7-9H2 Copy

  
• IUPAC Standard InChIKey: JDFUJAMTCCQARF-UHFFFAOYSA-N Copy
• CAS Registry Number: 3058-38-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: s-Triaminotrinitrobenzene; sym-Triaminotrinitrobenzene; TATB; 1,3,5-Triamino-2,4,6-trinitrobenzene; 2,4,6-Trinitro-1,3,5-benzenetriamine; 2,4,6-Trinitrobenzene-1,3,5-triamine; NSC 243156
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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

Phase change 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: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes

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

Baroody and Peters, 1987
Baroody, E.E.; Peters, S.T., Heats of formation of propellant compounds (U), Rpt. IHSP-87-252 by Naval Ordnance Station, Indian Head, MD, 1987, 1-7. [all data]

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]

Fedoroff and Shefield, 1975
Fedoroff, B.T.; Shefield, O.E., Table 1. Standard heats of formation and heats of detonation of common explosives in Encyclopedia of Explosives and Related Items, Part 2700 Volume 7, Picatinny Arsenal, Dover, NJ., 1975, 41-42. [all data]

Rai, Bhatt, et al., 2008
Rai, Neeraj; Bhatt, Divesh; Siepmann, J. Ilja; Fried, Laurence E., Monte Carlo simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB): Pressure and temperature effects for the solid phase and vapor-liquid phase equilibria, J. Chem. Phys., 2008, 129, 19, 194510, https://doi.org/10.1063/1.3006054 . [all data]

Garza, 1979
Garza, R.G., A thermogravimetric study of TATB and two TATB-based explosives, Rpt. UCRL-82723, Lawrence Livermore National Laboratory, Livermore, CA, 1979, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Rosen and Dickinson, 1969
Rosen, Jerome M.; Dickinson, Charles, Vapor pressures and heats of sublimation of some high-melting organic explosives, J. Chem. Eng. Data, 1969, 14, 1, 120-124, https://doi.org/10.1021/je60040a044 . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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
  ΔsubH	Enthalpy of sublimation

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