2,4,6-Trinitroresorcinol

• Formula: C₆H₃N₃O₈
• Molecular weight: 245.1033
• IUPAC Standard InChI: InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H Copy

  
• IUPAC Standard InChIKey: IXHMHWIBCIYOAZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 82-71-3
• 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.
• Other names: 1,3-Benzenediol, 2,4,6-trinitro-; Styphnic acid; Resorcinol, 2,4,6-trinitro-; 2,4-Dihydroxy-1,3,5-trinitrobenzene; 2,4,6-Trinitro-1,3-benzenediol; 1,3-Dihydroxy-2,4,6-trinitrobenzene; 3-Hydroxy-2,4,6-trinitrophenol; NSC 36932
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of fusion

Entropy of fusion

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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

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

Finch and Payne, 1990
Finch, A.; Payne, J., Thermochemistry of nitroresorcinols. I. 2,4,6-trinitroresorcinol (styphnic acid), Thermochim. Acta, 1990, 170, 209-212. [all data]

Medard and Thomas, 1949
Medard, L.; Thomas, M., Determinations calorimetriques concernant dix-huit derives nitres ou nitrates organiques., Mem. Poudres, 1949, 29, 173-195. [all data]

Rinkenbach, 1930
Rinkenbach, W.H., The heats of combustion and formation of aromatic nitro compounds, J. Am. Chem. Soc., 1930, 52, 115-120. [all data]

Farrell and Shahidi, 1979
Farrell, P.G.; Shahidi, F., DSC studies of aromatic hydrocarbon picrates, Thermochim. Acta, 1979, 33, 275. [all data]

Cundall, Frank Palmer, et al., 1978
Cundall, Robert B.; Frank Palmer, T.; Wood, Colin E.C., Vapour pressure measurements on some organic high explosives, J. Chem. Soc., Faraday Trans. 1, 1978, 74, 0, 1339, https://doi.org/10.1039/f19787401339 . [all data]

Farrell, Shahidi, et al., 1979
Farrell, P.G.; Shahidi, F.; Casellato, F.; Vecchi, C.; Girelli, A., DSC studies of aromatic hydrocarbon picrates, Thermochim. Acta, 1979, 33, 275-280. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Notes

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• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH°	Enthalpy of sublimation at standard conditions

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