Benzene, 1-methyl-2,4,5-trinitro-

• Formula: C₇H₅N₃O₆
• Molecular weight: 227.1311
• IUPAC Standard InChI: InChI=1S/C7H5N3O6/c1-4-2-6(9(13)14)7(10(15)16)3-5(4)8(11)12/h2-3H,1H3 Copy

  
• IUPAC Standard InChIKey: FZJGZCSVWGKDAK-UHFFFAOYSA-N Copy
• CAS Registry Number: 610-25-3
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Toluene, 2,4,5-trinitro-; 2,4,5-Trinitrotoluene
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
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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:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of fusion

Enthalpy of phase transition

Entropy of phase transition

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, 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.

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]

Chick and Thorpe, 1971
Chick, M.C.; Thorpe, B.W., Polymorphism in 2,4,5-trinitrotoluene, Australian J. Chem., 1971, 24, 191-195. [all data]

Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔfusH	Enthalpy of fusion

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