3-Amino-s-triazole

• Formula: C₂H₄N₄
• Molecular weight: 84.0800
• IUPAC Standard InChI: InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) Copy

  
• IUPAC Standard InChIKey: KLSJWNVTNUYHDU-UHFFFAOYSA-N Copy
• CAS Registry Number: 61-82-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 1H-1,2,4-Triazol-3-amine; s-Triazole, 3-amino-; Aminotriazole (plant regulator); Amitrol; Amitrol 90; Amitrole; Amizol; Azaplant; ATA; Cytrol; Cytrole; ENT 25445; Herbidal Total; Weedazol; 3-Amino-1,2,4-triazol; 3-Amino-1,2,4-triazole; 3-Amino-1H-1,2,4-triazole; 3-Aminotriazole; 3-AT; 1,2,4-triazol-3-ylamine; x-all Liquid; Amerol; Aminotriazol-spritzpulver; Aminotriazole; Amitolamitril; Amitril T.L.; Amitrol-T; Amizol D; Amizol DP NAU; Amizol F; Azaplant kombi; Azolan; Azole; AT; Campaprim A 1544; Diurol 5030; Elmasil; Emisol; Emisol F; Emisol 50; Fenavar; Herbizole; Kleer-Lot; Orga-414; Radoxone TL; Ramizol; Solution concentree T271; Triazolamine; USAF XR-22; Vorox; Vorox AA; Vorox AS; Weedar ADS; Weedar AT; Weedazin; Weedazin arginit; Weedazol super; Weedazol GP2; Weedazol T; Weedex granulat; Weedoclor; 2-Amino-1,3,4-triazole; 5-Amino-1H-1,2,4-triazole; 1H-1,2,4-Triazole-3-amine; Aminotriazole bayer; MSS aminotriazole; 1H-1,2,4-Triazol-5-amine; Maxata; 1H-1,2,4-Triazole, 3-amino-; 1H-1,2,4-Triazol-3-ylamine; 5-Amino-1,2,4-triazole; 2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene; TMG
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • 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

Enthalpy of fusion

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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₂H₄N₄⁺ (ion structure unspecified)

Ionization energy determinations

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

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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References

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

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

Williams, McEwan, et al., 1957
Williams, M.M.; McEwan, W.S.; Henry, R.A., The heats of combustion of substituted triazoles, tetrazoles and related high nitrogen compounds, J. Phys. Chem., 1957, 61, 261-267. [all data]

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Plato, 1972
Plato, C., DSC as a general method for determining purity and heat of fusion of high-purity organic chemicals, Anal. Chem., 1972, 44, 1531. [all data]

Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Maquestiau, Van Haverbeke, et al., 1975
Maquestiau, A.; Van Haverbeke, Y.; Flammang, R.; Cooks, R.G., Fragmentation d'azoles sous l'impact electronique, Org. Mass Spectrom., 1975, 10, 946. [all data]

Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H., Retention-indices on OV-1 of approximately 170 commonly used pesticides, Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093 . [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

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