2-Chlorobenzalmalononitrile
- Formula: C10H5ClN2
- Molecular weight: 188.613
- IUPAC Standard InChI: InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
- IUPAC Standard InChIKey: JJNZXLAFIPKXIG-UHFFFAOYSA-N
- CAS Registry Number: 2698-41-1
- 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: CS; Propanedinitrile, [(2-chlorophenyl)methylene]-; Malononitrile, (o-chlorobenzylidene)-; β,β-Dicyano-o-chlorostyrene; (o-Chlorobenzal)malononitrile; (o-Chlorobenzylidene)malononitrile; 2-Chlorobenzylidenemalononitrile; (o-Chlorobenzylidene)malonitrile; o-Chlorobenzylidenemalonic nitrile; NCI-C55118; USAF KF-11; 2-Chloro BMN; beta,bbeta-Dicyano-o-chlorostyrene; 2-Chlorobenzylidenemaloninitrile; CS (lacrimator); NSC 542; Propanedinitrile, 2-[(2-chlorophenyl)methylene]-; 2-Chlorobenzylmalonodinitrile; [(2-chlorophenyl)methylene]malononitrile
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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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1516. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1564. | Kostiainen, 2000 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 10. min |
| Capillary | SE-54 | 1561.6 | Salehuddin, 1997 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 1. min |
| Capillary | SE-54 | 1562.09 | Salehuddin, 1997 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 1. min |
| Capillary | SE-54 | 1562.09 | Salehuddin, 1997 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 1. min |
| Capillary | SE-54 | 1554.28 | Kaipainen, Kostiainen, et al., 1992 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min; Tend: 280. C |
| Capillary | SE-54 | 1554.40 | Kaipainen, Kostiainen, et al., 1992 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min; Tend: 280. C |
| Capillary | DB-5 | 1555.1 | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane | 1555. | Staples, 2006 | Program: not specified |
| Other | Methyl Silicone | 1516. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses,
J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1
. [all data]
Kostiainen, 2000
Kostiainen, O.,
Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention
in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s)., John Wiley Sons Ltd, Chichester, 2000, 963-979. [all data]
Salehuddin, 1997
Salehuddin, S.M.,
Study of chemical warfare agens by retention index method with dual-channel high resolution gas chromatography and high performance liquid chromatography,
J. Bangladesh Acad. Sci., 1997, 21, 2, 159-164. [all data]
Kaipainen, Kostiainen, et al., 1992
Kaipainen, A.; Kostiainen, O.; Riekkola, M.-L.,
Identification of chemical warfare agents in air samples using capillary column gas chromatography with three simultaneous detectors,
J. Microcolumn Sep., 1992, 4, 3, 245-251, https://doi.org/10.1002/mcs.1220040311
. [all data]
D'Agostino and Provost, 1985
D'Agostino, P.A.; Provost, L.R.,
Gas chromatographic retention indices of chemical warfare agents and simulants,
J. Chromatogr., 1985, 331, 47-54, https://doi.org/10.1016/0021-9673(85)80005-4
. [all data]
Staples, 2006
Staples, E.J.,
Creating a compound library for chemical warfare agents for the ZNose, 2006, retrieved from http://www.estcal.com/TechPapers/Security/CWA-Libraries.pdf. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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