2H-Benzotriazole, 2-methyl-
- Formula: C7H7N3
- Molecular weight: 133.1506
- IUPAC Standard InChI: InChI=1S/C7H7N3/c1-10-8-6-4-2-3-5-7(6)9-10/h2-5H,1H3
- IUPAC Standard InChIKey: PWORFEDVDWBHSJ-UHFFFAOYSA-N
- CAS Registry Number: 16584-00-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Methylbenzotriazole; 2-Methyl-2H-benzotriazole
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 212.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 204.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.54 | PE | Leupin, Heilbronner, et al., 1980 | LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Leupin, Heilbronner, et al., 1980
Leupin, W.; Heilbronner, E.; Wirz, J.,
The photoelectron spectrum of 2-methylbenzotriazole,
J. Mol. Struct., 1980, 68, 329. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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