Terbutryn
- Formula: C10H19N5S
- Molecular weight: 241.356
- IUPAC Standard InChIKey: IROINLKCQGIITA-UHFFFAOYSA-N
- CAS Registry Number: 886-50-0
- 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, N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-; s-Triazine, 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-; A 1866; Clarosan; GS 14260; Igran; Igran 50; Igran 500; Terbutrin; 4-Aethylamino-2-tert-butylamino-6-methylthio-s-triazin; 2-tert.Butylamino-4-aethylamino-6-methylthio-1,3,5-triazin; 2-tert-Butylamino-4-ethylamino-6-methylmercapto-s-triazine; 2-tert-Butylamino-4-ethylamino-6-methylthio-s-triazine; HS-14260; 2-Methylthio-4-ethylamino-6-tert-butylamino-s-triazine; Prebane; Shortstop; Short-stop E; Terbutrex; 2-tert-Butylamino-4-ethylamino-6-methylthio-1,3,5-triazine; Athado; N-(1,1-Dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine; Plantonit; 2-Tert.-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazin; 2-Tert.-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazine; Terbutryne; Saterb; 2-Methylmercapto-4-ethylamino-6-tert-butylamino-1,3,5-triazine (terbutryn)
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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 376.98 | K | N/A | Donnelly, Drewes, et al., 1990 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 115. ± 7. | kJ/mol | DSC | Vecchio and Brunetti, 2007 | AC |
ΔvapH° | 111. ± 4. | kJ/mol | TGA | Vecchio and Brunetti, 2007 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
87. ± 5. | 467. | DSC | Vecchio and Brunetti, 2007 | AC |
83.2 ± 1.0 | 452. | TGA | Vecchio and Brunetti, 2007 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21. | 376.1 | N/A | Vecchio and Brunetti, 2007 | AC |
21.42 | 375.9 | DSC | Donnelly, Drewes, et al., 1990, 2 | AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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
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, 1995 |
NIST MS number | 245216 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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 | 190. | 1902. | Erdmann, Rochholz, et al., 1992 | |
Capillary | OV-1 | 220. | 1910. | Erdmann, Rochholz, et al., 1992 | |
Capillary | OV-101 | 190. | 1912. | Matisová, Krupcík, et al., 1979 | N2; Column length: 69.7 m; Column diameter: 0.24 mm |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1906. | Osselton and Snelling, 1986 | N2, Chromosorb W HP; Column length: 2. m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 215. | 2793. | Leclercq and Pacáková, 1979 | N2, Chromosorb W |
Packed | Carbowax 20M | 190. | 2812. | Matisová, Krupcík, et al., 1979 | N2, Chromosorb W AW (80-100 mesh); Column length: 1.3 m |
Packed | Carbowax 20M | 215. | 2793. | 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 | 1939. | 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 | 1944. | Mondello, Casilli, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 1945. | 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 | 1944. | 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 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1940. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 1940. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
Vecchio and Brunetti, 2007
Vecchio, Stefano; Brunetti, Bruno,
Vapor Pressures and Standard Molar Sublimation Enthalpies of Three 6-Methylthio-2,4-di(alkylamino)-1,3,5-triazine Derivatives: Simetryn, Ametryn, and Terbutryn,
J. Chem. Eng. Data, 2007, 52, 5, 1585-1594, https://doi.org/10.1021/je600580r
. [all data]
Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
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]
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]
Osselton and Snelling, 1986
Osselton, M.D.; Snelling, R.D.,
Chromatographic Identification of Pesticides,
J. Chromatogr., 1986, 368, 265-271, https://doi.org/10.1016/S0021-9673(00)91068-9
. [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]
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]
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]
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, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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