1H-Pyrazole, 1-methyl-
- Formula: C4H6N2
- Molecular weight: 82.1038
- IUPAC Standard InChIKey: UQFQONCQIQEYPJ-UHFFFAOYSA-N
- CAS Registry Number: 930-36-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Pyrazole, 1-methyl-; 1-Methylpyrazole; N-Methylpyrazole; 1-Methyl-1H-pyrazole
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Ion clustering 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: Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: K+ + C4H6N2 = (K+ • C4H6N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 94. ± 4. | kJ/mol | CIDT | Huang and Rodgers, 2002 |
By formula: Li+ + C4H6N2 = (Li+ • C4H6N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 207. ± 19. | kJ/mol | CIDT | Huang and Rodgers, 2002 |
By formula: Na+ + C4H6N2 = (Na+ • C4H6N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 131. ± 3. | kJ/mol | CIDT | Huang and Rodgers, 2002 |
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
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-IW-1321 |
NIST MS number | 229717 |
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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 110. | 743. | Golovnya, Kuz'menko, et al., 2000 | He; Phase thickness: 0.4 μm |
Capillary | OV-101 | 110. | 743. | Zhuravleva, 2000 | 50. m/0.3 mm/0.4 μm, He |
References
Go To: Top, Ion clustering 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.
Huang and Rodgers, 2002
Huang, H.; Rodgers, M.T.,
Sigma versus Pi interactions in alkali metal ion binding to azoles: Threshold collision-induced dissociation and ab initio theory studies,
J. Phys. Chem. A, 2002, 106, 16, 4277, https://doi.org/10.1021/jp013630b
. [all data]
Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.E.; Krikunova, N.I.,
The influence of alkyl substituents on the chromatographic indicator of self-association of N-containing heterocyclic compounds,
Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 321-324, https://doi.org/10.1007/BF02494681
. [all data]
Zhuravleva, 2000
Zhuravleva, I.L.,
Evaluation of the polarity and boiling points of nitrogen-containing heterocyclic compounds by gas chromatography,
Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 325-328, https://doi.org/10.1007/BF02494682
. [all data]
Notes
Go To: Top, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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