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 Copy

  
• IUPAC Standard InChIKey: JJNZXLAFIPKXIG-UHFFFAOYSA-N Copy
• 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
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• 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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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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

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

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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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.

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

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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