Benzene, 1-chloro-3-methoxy-
- Formula: C7H7ClO
- Molecular weight: 142.583
- IUPAC Standard InChI: InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
- IUPAC Standard InChIKey: YUKILTJWFRTXGB-UHFFFAOYSA-N
- CAS Registry Number: 2845-89-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Anisole, m-chloro-; m-Chloroanisole; m-Chlorophenyl methyl ether; 1-Chloro-3-methoxybenzene; 3-Chloroanisole; meta-Chloroanisole
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Gas phase ion energetics data
Go To: Top, IR Spectrum, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.7 ± 0.1 | EI | Brown, 1970 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H4OCl+ | 11.9 ± 0.1 | CH3 | EI | Brown, 1970 | |
| C6H5Cl+ | 11.7 ± 0.1 | CH2O | EI | Brown, 1970 |
IR Spectrum
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
UV/Visible spectrum
Go To: Top, Gas phase ion energetics data, IR 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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| Source | Burawoy and Chamberlain, 1952 |
|---|---|
| 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. 5261 |
| Instrument | Hilger spectrophotometer |
| Boiling point | 193.5 |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Brown, 1970
Brown, P.,
Kinetic studies in mass spectrometry. VIII. Competing [M-CH3] and [M-CH2O] reactions in substituted anisoles. Approximate activation energies from ionization appearance potentials,
Org. Mass Spectrom., 1970, 4, 519. [all data]
Burawoy and Chamberlain, 1952
Burawoy, A.; Chamberlain, J.T.,
Effect of methylation on the light absorption of phenols. Part I.,
J. Chem. Soc., 1952, 2310-2316. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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