Benzene, 1-nitro-3-(trifluoromethyl)-

• Formula: C₇H₄F₃NO₂
• Molecular weight: 191.1074
• IUPAC Standard InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H Copy

  
• IUPAC Standard InChIKey: WHNAMGUAXHGCHH-UHFFFAOYSA-N Copy
• CAS Registry Number: 98-46-4
• 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: Toluene, α,α,α-trifluoro-m-nitro-; α,α,α-Trifluoro-m-nitrotoluene; m-(Trifluoromethyl)nitrobenzene; m-Nitrobenzotrifluoride; 1-Nitro-3-(trifluoromethyl)benzene; 3-(Trifluoromethyl)nitrobenzene; 3-Nitrobenzotrifluoride; m-Nitrotrifluorotoluene; 3-Nitro-α,α,α-trifluorotoluene; α,α,α-Trifluoro-3-nitrotoluene; m-Nitrotrifluortoluol; Toluene, 3-nitro-α,α,α-trifluoro-; USAF MA-5; 1,3-Nitrobenzotrifluoride; m-Nitro-α,α,α-trifluorotoluene; NSC 10313; Benzene, 1-trifluoromethyl-3-nitro
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• Information on this page:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Ion clustering data
  • Gas Chromatography
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Reaction 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

 +  = ( • )

By formula: Br^- + C₇H₄F₃NO₂ = (Br^- • C₇H₄F₃NO₂)

 +  = ( • )

By formula: Cl^- + C₇H₄F₃NO₂ = (Cl^- • C₇H₄F₃NO₂)

F₆S^- +  = (F₆S^- • )

By formula: F₆S^- + C₇H₄F₃NO₂ = (F₆S^- • C₇H₄F₃NO₂)

F₆S^- +  = (F₆S^- • )

By formula: F₆S^- + C₇H₄F₃NO₂ = (F₆S^- • C₇H₄F₃NO₂)

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, Reaction thermochemistry 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.

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Role of Binding Energies in A^-.B and A.B^- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A^- + B = A + B^- Involving Perfluoro Compounds: SF₆, C₆F₁₁CF₃, J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687 . [all data]

Notes

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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