Simazine
- Formula: C7H12ClN5
- Molecular weight: 201.657
- IUPAC Standard InChIKey: ODCWYMIRDDJXKW-UHFFFAOYSA-N
- CAS Registry Number: 122-34-9
- 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: 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-; S-Triazine, 2-chloro-4,6-bis(ethylamino)-; A 2079; Aktinit S; Aquazine; Bitemol S-50; CAT; CDT; CET; G 27692; Geigy 27,692; Gesatop; Gesatop 50; H 1803; Herbazin; Herbazin 50; Herbex; Herboxy; Hungazin DT; Premazine; Princep; Radocon; Radokor; Simazin; Symazine; Simazine 80W; Tafazine; Tafazine 50-W; Taphazine; Triazine A384; W 6658; 2,4-Bis(ethylamino)-6-chloro-1,3,5-triazine; 2-Chloro-4,6-bis(ethylamino)-s-triazine; Amizine; Batazina; Bitemol; Cekuzina-S; CAT (herbicide); Gesapun; Gesaran; Primatel S; Primatol S; Printop; Simadex; Simanex; Zeapur; 1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine; 2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine; 2,4-Bis(ethylamino)-6-chloro-s-triazine; Simazine 50; Yrodazin; 4,6-Bis(ethylamino)-2-chlorotriazine; Herbatoxol S; Cekusan; Framed; s-Triazine, 2,4-bis(ethylamino)-6-chloro-; 6-Chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine; 2,4-Di(ethylamino)-6-chloro-1,3,5-triazine; 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-; Simatsin-neste; 2-Chloro-4,6-di(ethylamino)triazine; Azotop; Simatox
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IR Spectrum
Go To: Top, Gas Chromatography, References, Notes
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
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Gas Chromatography
Go To: Top, IR Spectrum, References, Notes
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 | OV-1 | 160. | 1690. | Erdmann, Rochholz, et al., 1992 | |
Capillary | OV-1 | 190. | 1704. | Erdmann, Rochholz, et al., 1992 | |
Capillary | OV-1 | 220. | 1720. | Erdmann, Rochholz, et al., 1992 | |
Capillary | SPB-1 | 250. | 1722. | Lora-Tamayo, Rams, et al., 1986 | He; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 190. | 1723. | Valko and Lopata, 1982 | |
Capillary | OV-101 | 190. | 1723. | Matisová, Krupcík, et al., 1979 | N2; Column length: 69.7 m; Column diameter: 0.24 mm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1711. | Hall, Whitehead, et al., 1986 | He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; Tstart: 100. C; Tend: 270. C |
Capillary | DB-5 | 1751. | Hall, Whitehead, et al., 1986 | He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; Tstart: 100. C; Tend: 270. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1745. | Tanabe, Mitobe, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min) |
Capillary | DB-5MS | 1748. | Tanabe, Mitobe, et al., 1996 | 30. m/0.32 mm/0.25 μm; Program: 50 C(1min)->20C/min->200C->10C/min->280C (1.5min) |
Packed | SE-30 | 1690. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 215. | 2806. | Leclercq and Pacáková, 1979 | N2, Chromosorb W |
Packed | Carbowax 20M | 190. | 2834. | Matisová, Krupcík, et al., 1979 | N2, Chromosorb W AW (80-100 mesh); Column length: 1.3 m |
Packed | Carbowax 20M | 215. | 2806. | Pacáková and Nemec, 1978 | N2, Chromosorb W; Column length: 1.4 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SLB-5MS | 1743. | Mondello, Casilli, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 300. C |
Capillary | SLB-5MS | 1748. | Mondello, Casilli, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 300. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 1714. | Yasuhara, Shiraishi, et al., 1997 | 15. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Capillary | 5 % Phenyl methyl siloxane | 1741. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1755. | Murayama, Mukai, et al., 2000 | 30. m/0.32 mm/0.25 μm, 50. C @ 1. min, 10. K/min, 300. C @ 4. min |
Capillary | Polydimethyl siloxane | 1749. | Hayakawa, Niinomi, et al., 1990 | 25. m/0.32 mm/0.52 μm, He, 6. K/min; Tstart: 60. C; Tend: 270. C |
Capillary | Durabond-5 | 1749. | Pereira, Rostad, et al., 1990 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 6. K/min; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 1744. | Department of Food Safety and Welfare, 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min) |
Capillary | 5 % Phenyl methyl siloxane | 1748. | Department of Food Safety and Welfare, 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min) |
Capillary | HP-5 | 1745. | Kawara, Asada, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 50 0C (1 min) 20 0C/min -> 150 0C 10 0C/min -> 280 0C |
Other | Methyl Silicone | 1690. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Superox 0.6; Carbowax 20M | 2872. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 2806. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 2872. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Durabond-5 | 293.57 | Pereira, Rostad, et al., 1990 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 6. K/min; Tend: 300. C |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H.,
Retention-indices on OV-1 of approximately 170 commonly used pesticides,
Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093
. [all data]
Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R.,
Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns,
J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5
. [all data]
Valko and Lopata, 1982
Valko, K.; Lopata, A.,
Applicability of Gas-Liquid Chromatography in Determining Liquid-Liquid Partition Data,
J. Chromatogr., 1982, 252, 77-90, https://doi.org/10.1016/S0021-9673(01)88399-0
. [all data]
Matisová, Krupcík, et al., 1979
Matisová, E.; Krupcík, J.; Líska, O.; Szentiványi, N.,
Qualitative analysis of multi-component s-triazine herbicides by gas-liquid chromatography,
J. Chromatogr., 1979, 169, 261-269, https://doi.org/10.1016/0021-9673(75)85049-7
. [all data]
Hall, Whitehead, et al., 1986
Hall, G.L.; Whitehead, W.E.; Mourer, C.R.; Shibamoto, T.,
A new gas chromatographic retention index for pesticides and related compounds,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 5, 266-271, https://doi.org/10.1002/jhrc.1240090503
. [all data]
Tanabe, Mitobe, et al., 2000
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.; Yasuhara, A.,
New monitoring system for ninety pesticides and related compounds in river water by solid-phase extraction with determination by gas chromatography/mass spectrometry,
J. AOAC Int., 2000, 83, 1, 61-77. [all data]
Tanabe, Mitobe, et al., 1996
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.,
Monitoring of herbicides in river water by gas chromatography-mass spectrometry and solid-phase extraction,
J. Chromatogr. A, 1996, 754, 1-2, 159-168, https://doi.org/10.1016/S0021-9673(96)00221-X
. [all data]
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]
Leclercq and Pacáková, 1979
Leclercq, P.A.; Pacáková, V.,
Gas Chromatography and Mass Spectrometry of Bis(alkylamino)-s-triazines,
J. Chromatogr., 1979, 178, 1, 193-207, https://doi.org/10.1016/S0021-9673(00)89708-3
. [all data]
Pacáková and Nemec, 1978
Pacáková, V.; Nemec, I.,
Gas chromatographic, spectrophotometric and electrochemical behaviour of subsitituted s-triazines,
J. Chromatogr., 1978, 148, 1, 273-281, https://doi.org/10.1016/S0021-9673(00)99348-8
. [all data]
Mondello, Casilli, et al., 2007
Mondello, L.; Casilli, A.; Tranchida, P.Q.; Presti, M.L.; Dugo, P.; Dugo, G.,
Comprehensive gas chromatography coupled to mass spectrometry for the separation of pesticides in a very complex matrix,
Anal. Bioanal. Chem., 2007, 389, 6, 1755-1763, https://doi.org/10.1007/s00216-007-1412-y
. [all data]
Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y.,
Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry,
J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2
. [all data]
Murayama, Mukai, et al., 2000
Murayama, H.; Mukai, H.; Mitobe, H.; Moriyama, N.,
Simple method for determining trace pesticides in air using extraction disks,
Anal. Sci., 2000, 16, 3, 257-263, retrieved from http://wwwsoc.nii.ac.;p/jsac/analsci/pdfs/a160257.pdf, https://doi.org/10.2116/analsci.16.257
. [all data]
Hayakawa, Niinomi, et al., 1990
Hayakawa, S.; Niinomi, J.; Kato, S.; Kanamaru, T.,
Retention time and mass number of agrochemicals by capillary column GC/MS,
Mie-ken Kankyo-Kagaku Senta-kenkyu-ho-koku (Report of the Environmental Science Institute of Mie Prefecture), 1990, 10, 53-56. [all data]
Pereira, Rostad, et al., 1990
Pereira, W.E.; Rostad, C.E.; Leiker, T.J.,
Determination of trace levels of herbicides and their degradation products in surface and ground waters by gas chromatography/ion trap mass spectrometry,
Anal. Chim. Acta, 1990, 228, 69-75, https://doi.org/10.1016/S0003-2670(00)80480-8
. [all data]
Department of Food Safety and Welfare, 2006
Department of Food Safety, Ministry of Health; Welfare,
Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf. [all data]
Kawara, Asada, et al., 2005
Kawara, K.; Asada, T.; Oikawa, K.; Tanabe, A.,
Multiresidue determination of pesticides in sediments by ultrasonically assisted extraction and gas chromatography/mass spectrometry,
J. AOAC International, 2005, 88, 5, 1440-1451. [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]
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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