5-Chloro-2-methoxypyrimidine
- Formula: C5H5ClN2O
- Molecular weight: 144.559
- IUPAC Standard InChI: InChI=1S/C5H5ClN2O/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
- IUPAC Standard InChIKey: GJNGJHZIOYFEOP-UHFFFAOYSA-N
- CAS Registry Number: 38373-44-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Pyrimidine,5-chloro-2-methoxy-
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
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
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.36 ± 0.05 | EI | Gacek, Thorstad, et al., 1978 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, References, Notes
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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| 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 | V.A. KOPTYUG, VOL5, ATLAS OF MS OF ORGANIC COMPOUNDS |
| NIST MS number | 74271 |
UV/Visible spectrum
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | (editor), 1981 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 18464 |
| Instrument | SF-16 |
| Melting point | 49-50 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gacek, Thorstad, et al., 1978
Gacek, M.; Thorstad, O.; Ongstad, L.; Undheim, K.,
Ionisation potentials in tautomer analysis of 2-hydroxypyrimidines,
Chem. Scr., 1978, 13, 99. [all data]
(editor), 1981
(editor), Koptyug V.A.,
Atlas of Spectra of Aromatic and Heterocyclic Compounds, 1981, 20, 62. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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