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, 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° | 27. ± 2. | kcal/mol | DSC | Vecchio and Brunetti, 2007 | AC |
ΔvapH° | 26.5 ± 1. | kcal/mol | TGA | Vecchio and Brunetti, 2007 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21. ± 1. | 467. | DSC | Vecchio and Brunetti, 2007 | AC |
19.9 ± 0.24 | 452. | TGA | Vecchio and Brunetti, 2007 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.0 | 376.1 | N/A | Vecchio and Brunetti, 2007 | AC |
5.120 | 375.9 | DSC | Donnelly, Drewes, et al., 1990, 2 | AC |
Gas Chromatography
Go To: Top, Phase change data, 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, 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, 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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