Phosphorothioic acid, O-(1,6-dihydro-6-oxo-1-phenyl-3-pyridazinyl) O,O-diethyl ester
- Formula: C14H17N2O4PS
- Molecular weight: 340.335
- IUPAC Standard InChI: InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
- IUPAC Standard InChIKey: CXJSOEPQXUCJSA-UHFFFAOYSA-N
- CAS Registry Number: 119-12-0
- 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: Pyridafenthion; Phosphorothioic acid, O,O-diethyl ester, O-ester with 6-hydroxy-2-phenyl-3(2H)pyridazinone; American cyanamid 12,503; CL 12503; O,O-Diethyl O-(2,3-dihydro-3-oxo-2-phenyl-6-pyridazinyl)phosphorothioate; O,O-Diethylphosphorothioate, O-ester with 6-hydroxy-2-phenyl-3(2H)-pyridazinone; O-(1,6-Dihydro-6-oxo-1-phenylpyridazin-3-yl) O,O-diethyl phosphorothioate; ENT 23,968; Ofnack; Ofnak; Ofunack; Pyridaphenthion; 3(2H)-Pyridazinone, 6-hydroxy-2-phenyl-, O-ester with O,O-diethyl phosphorothioate; O,O-diethyl O-(1,6-dihydro-6-oxo-1-phenylpyridazin-3-yl) thiophosphate
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Mass spectrum (electron ionization)
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
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 | Richard Turcotte. Direction des laboratoires d'expertises et d'analyses alimentaires, Quebec, Canada. |
| NIST MS number | 366489 |
Gas Chromatography
Go To: Top, 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 | SPB-1 | 250. | 2418. | Lora-Tamayo, Rams, et al., 1986 | He; Column length: 25. m; Column diameter: 0.20 mm |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2437. | Tanabe, Mitobe, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2478. | Murayama, Mukai, et al., 2000 | 30. m/0.32 mm/0.25 μm, 50. C @ 1. min, 10. K/min, 300. C @ 4. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 2455. | 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 | 2437. | 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 |
| Capillary | DB-5 | 2450. | Kawata, Mukai, et al., 1996 | 30. m/0.25 mm/0.25 μm; Program: 50 0C (1 min) 20 0C/min -> 200 0C 10 0C/min -> 280 0C (2 min) |
References
Go To: Top, 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.
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]
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]
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]
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]
Kawata, Mukai, et al., 1996
Kawata, K.; Mukai, H.; Tanabe, H.; Yasuhara, A.,
Annual variation of insecticides in precipitation in rural Japan,
Bull. Environ. Contam. Toxicol., 1996, 57, 6, 853-858, https://doi.org/10.1007/s001289900268
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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