1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin
- Formula: C12H2Cl6O2
- Molecular weight: 390.861
- IUPAC Standard InChI: InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H
- IUPAC Standard InChIKey: YCLUIPQDHHPDJJ-UHFFFAOYSA-N
- CAS Registry Number: 57653-85-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Dibenzo-p-dioxin, 1,2,3,6,7,8-hexachloro-; Dibenzo(b,e)(1,4)dioxin, 1,2,3,6,7,8-hexachloro-; 1,2,3,6,7,8-Hexachloro-p-dioxin; 1,2,3,6,7,8-Hexachlorodibenzodioxin
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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 | W. MILES, AGRIC. CAN., LAB. SERV. DIV., OTTAWA, ONT., CAN. |
| NIST MS number | 98821 |
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 | OV-1 | 280. | 2749. | Shomburg G., Husmann H., et al., 1985 | Column length: 25. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2788. | Donnelly, Munslow, et al., 1987 | 60. m/0.252 mm/0.25 μm, He, 170. C @ 1. min, 2. K/min; Tend: 340. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2747. | Korhonen and Mantykoski, 1989 | 25. m/0.20 mm/0.11 μm, He; Program: 100 0C (1 min) 20 0C/min -> 180 0C 5 0C/min -> 290 0C (until elution of the last peak) |
| Capillary | HP-5 | 2788. | Korhonen and Mantykoski, 1989 | 25. m/0.20 mm/0.11 μm, He; Program: 100 0C (1 min) 20 0C/min -> 180 0C 5 0C/min -> 290 0C (until elution of the last peak) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2788. | Zhao and Yu, 2007 | 60. m/0.25 mm/0.25 μm, He, 170. C @ 1. min, 2. K/min; Tend: 340. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2782. | Lin, Liu, et al., 2002 | Program: not specified |
| Capillary | DB-5 | 2782. | Lin, Liu, et al., 2002 | Program: not specified |
| Capillary | DB-5 | 2788. | Lin, Liu, et al., 2002 | Program: not specified |
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.
Shomburg G., Husmann H., et al., 1985
Shomburg G.; Husmann H.; Hubinger E.,
Multidimensional separation of isomeric species of chlorinated hydrocarbons such as PCB, PCDD and PCDF,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 8, 395-400, https://doi.org/10.1002/jhrc.1240080807
. [all data]
Donnelly, Munslow, et al., 1987
Donnelly, J.R.; Munslow, W.D.; Mitchum, R.K.; Sovocool, G.W.,
Correlation of structure with rentention index for chlorinated dibenzo-p-dioxins,
J. Chromatogr., 1987, 392, 51-63, https://doi.org/10.1016/S0021-9673(01)94253-0
. [all data]
Korhonen and Mantykoski, 1989
Korhonen, I.O.O.; Mantykoski, K.M.,
Gas-Liquid Chromatographic Analyses. L. Retention, Dispersion and Selectivity Indices of Polychlorinated Dibenzo-p-dioxins and Dibenzofurans,
J. Chromatogr., 1989, 477, 2, 327-336, https://doi.org/10.1016/S0021-9673(01)89641-2
. [all data]
Zhao and Yu, 2007
Zhao, J.-S.; Yu, S.-X.,
Quantitative structure-retention relationship for polychlorinated dibenzodioxins based on molecular interaction fields ....,
Chin. J. Anal. Chem., 2007, 35, 12, 1756-1760. [all data]
Lin, Liu, et al., 2002
Lin, Z.; Liu, S.; Li, Z.,
Molecular modeling of quantitative structure retention relationship studies: retention behavior of polychlorinated dibenzofurans on gas chromatographic stationary phases of varying polarity by a novel molecular distance edge vector,
J. Chromatogr. Sci., 2002, 40, 7-13. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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