Tabun

Formula: C₅H₁₁N₂O₂P
Molecular weight: 162.1268
IUPAC Standard InChI: InChI=1S/C5H11N2O2P/c1-4-9-10(8,5-6)7(2)3/h4H2,1-3H3
IUPAC Standard InChIKey: PJVJTCIRVMBVIA-UHFFFAOYSA-N
CAS Registry Number: 77-81-6
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: O-Ethyl N,N-dimethyl phosphoramidocyanidate; GA; Phosphoramidocyanidic acid, dimethyl-, ethyl ester; Dimethylamidoethoxyphosphoryl cyanide; Ethyl dimethylamidocyanophosphate; Ethyl dimethylphosphoramidocyanidate; Dimethylaminocyanphosphorsaeureaethylester; Dimethylphosphoramidocyanidic acid, ethyl ester; EA 1205; Ethyl N,N-dimethylphosphoramidocyanidate; Ethyl N,N-dimethylamino cyanophosphate; Ethylester-dimethylamid kyseliny kyanfosfonove; Gelan I; Le-100; T-2104; TL 1578; Taboon A; Trilon 83; GA (chemical warfare agent); Phosphoramidocyanidic acid, N,N-dimethyl-, ethyl ester
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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

Column type	Active phase	I	Reference	Comment
Capillary	SE-54	1133.	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	1128.38	Kaipainen, Kostiainen, et al., 1992	25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min; T_end: 280. C
Capillary	SE-54	1128.97	Kaipainen, Kostiainen, et al., 1992	25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min; T_end: 280. C
Capillary	DB-5	1131.6	D'Agostino and Provost, 1985	15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min; T_end: 300. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1790.4	D'Agostino and Provost, 1985	15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 250. C @ 5. min

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SE-54	1133.4	Söderström, Ketola, et al., 1995	25. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 10. K/min, 250. C @ 10. min
Capillary	DB-5	1131.6	D'Agostino, Hansen, et al., 1985	15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min; T_end: 300. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane	1131.	Staples, 2006	Program: not specified
Capillary	SE-54	1131.	Tsunoda, 2005	Program: not specified
Capillary	5 % Phenyl methyl siloxane	1133.	OPCW, 1997	Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.	1790.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

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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]

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]

Söderström, Ketola, et al., 1995
Söderström, M.T.; Ketola, R.A.; Kostiainen, O., Identification of some nerve agent homologues and dialkyl methylphosphonates by gas chromatography/Fourier transform infrared spectrometry. Part II. Spectral search with the help of retention indices, Fresenius J. Anal. Chem., 1995, 352, 6, 550-556, https://doi.org/10.1007/BF00323072 . [all data]

D'Agostino, Hansen, et al., 1985
D'Agostino, P.A.; Hansen, A.S.; Lockwood, P.A.; Provost, L.R., Capillary Column Gas Chromatography-Mass Spectrometry of Tabun, J. Chromatogr., 1985, 347, 257-266, https://doi.org/10.1016/S0021-9673(01)95491-3 . [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]

Tsunoda, 2005
Tsunoda, N., The sarin incidents in Japan and mass spectrometry, J. MAss Spectrom. Soc. Japan, 2005, 53, 3, 157-163, https://doi.org/10.5702/massspec.53.157 . [all data]

OPCW, 1997
OPCW, Conference of the States Parties C-I/DEC.64 (22 May 1997), 1997, retrieved from http://www.opcw.org/html/global/c_series/csp1/CI_DEC64.html. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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