1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-

• Formula: C₅H₅F₃N₂
• Molecular weight: 150.1018
• IUPAC Standard InChI: InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10) Copy

  
• IUPAC Standard InChIKey: DLCHCAYDSKIFIN-UHFFFAOYSA-N Copy
• CAS Registry Number: 10010-93-2
• 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: Pyrazole, 3-methyl-5-(trifluoromethyl)-; Pyrazole, 3(or 5)-methyl-5(or 3)-(trifluoromethyl)-; 3-Methyl-5-(trifluoromethyl)pyrazole; 3(5)-Trifluoromethyl-5(3)-methylpyrazole
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

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 by: John E. Bartmess

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Individual Reactions

C₅H₄F₃N₂^- +  =

By formula: C₅H₄F₃N₂^- + H⁺ = C₅H₅F₃N₂

Gas phase ion energetics 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: John E. Bartmess

De-protonation reactions

C₅H₄F₃N₂^- +  =

By formula: C₅H₄F₃N₂^- + H⁺ = C₅H₅F₃N₂

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, Reaction thermochemistry data, Gas phase ion energetics 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.

Elguero, Yranzo, et al., 1991
Elguero, Jose; Yranzo, Gloria I.; Laynez, Jose; Jimenez, Pilar; Menendez, Margarita; Catalan, Javier; De Paz, Jose Luis G.; Anvia, Frederick; Taft, Robert W., Effect of the replacement of a methyl by a trifluoromethyl group on the acid-base properties of pyrazoles, J. Org. Chem., 1991, 56, 12, 3942-3947, https://doi.org/10.1021/jo00012a030 . [all data]

Taft, 1991
Taft, R.W., , personal communication, Aug, 1991. [all data]

Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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
  ΔsubH	Enthalpy of sublimation

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