Pyrazine, 2-chloro-3-methyl-
- Formula: C5H5ClN2
- Molecular weight: 128.560
- IUPAC Standard InChI: InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
- IUPAC Standard InChIKey: WZHWPZQQPWKEAV-UHFFFAOYSA-N
- CAS Registry Number: 95-58-9
- 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: 2-Chloro-3-methylpyrazine; 2-Methyl-3-chloropyrazine; 3-Chloro-2-methyl pyrazine
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IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | WYANDOTTE CHEMICALS CORP., WYANDOTTE, MICHIGAN, USA |
| Source reference | COBLENTZ NO. 2689 |
| Date | Not specified, most likely prior to 1970 |
| Name(s) | 2-chloro-3-methylpyrazine |
| State | LIQUID |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Path length | 0.003 CM |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY |
| Boiling point | 79-85 C AT 31 mmHg |
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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 951. | Mihara and Masuda, 1987 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1399. | Mihara and Masuda, 1987 | Program: not specified |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mihara and Masuda, 1987
Mihara, S.; Masuda, H.,
Correlation between molecular structures and retention indices of pyrazines,
J. Chromatogr., 1987, 402, 309-317, https://doi.org/10.1016/0021-9673(87)80029-8
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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