2-Propenoic acid, 2-chloro-, methyl ester
- Formula: C4H5ClO2
- Molecular weight: 120.534
- IUPAC Standard InChI: InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
- IUPAC Standard InChIKey: AWJZTPWDQYFQPQ-UHFFFAOYSA-N
- CAS Registry Number: 80-63-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Acrylic acid, 2-chloro-, methyl ester; Methyl α-chloroacrylate; Methyl 2-chloroacrylate; 2-Chloroacrylic acid, methyl ester; Methylester kyseliny 2-chlorakrylove; Methyl 2-chloropropenoate; Methyl 2-chloro-2-propenoate; NSC 32608; 2-Chloropropenoic acid, methyl ester; Methyl alpha-chloro acrylate
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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 | DOW CHEMICAL COMPANY |
| Source reference | COBLENTZ NO. 1948 |
| Date | Not specified, most likely prior to 1970 |
| Name(s) | methyl 2-chloroacrylate |
| State | SOLUTION (10% CCl4 FOR 5000-1330, 10% CS2 FOR 1330-625 CM-1) |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Path length | 0.0122 CM, 0.0120 CM |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY |
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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| 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 | NIST Mass Spectrometry Data Center |
| NIST MS number | 341378 |
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 | SE-30 | 80. | 748. | Haken and Korhonen, 1983 | Column length: 25. m; Column diameter: 0.22 mm |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 100. | 1226. | Haken and Korhonen, 1983 | Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 80. | 1226. | Haken and Korhonen, 1983 | Column length: 25. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 766. | Peters, de Leer, et al., 1994 | 25. m/0.2 mm/0.33 μm, He, 50. C @ 5. min, 8. K/min, 300. C @ 10. min |
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.
Haken and Korhonen, 1983
Haken, J.K.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXIII. Capillary column studies of chlorinated methyl propenoates,
J. Chromatogr., 1983, 268, 511-514, https://doi.org/10.1016/S0021-9673(01)95451-2
. [all data]
Peters, de Leer, et al., 1994
Peters, R.J.D.; de Leer, E.W.B.; Versteegh, J.F.M.,
Identification of Halogenated Compounds Produced by Chlorination of Humic Acid in the Presence of Bromide,
J. Chromatogr. A, 1994, 686, 2, 253-261, https://doi.org/10.1016/0021-9673(94)00719-5
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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