1,3,6,8-Tetrachlorodibenzo-p-dioxin

• Formula: C₁₂H₄Cl₄O₂
• Molecular weight: 321.971
• IUPAC Standard InChI: InChI=1S/C12H4Cl4O2/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4H Copy

  
• IUPAC Standard InChIKey: OTQFXRBLGNEOGH-UHFFFAOYSA-N Copy
• CAS Registry Number: 33423-92-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Dibenzo-p-dioxin, 1,3,6,8-tetrachloro-; Dibenzo(b,e)(1,4)dioxin, 1,3,6,8-tetrachloro-; 1,3,6,8-TCDD; 1,3,6,8-Tetrachlorodibenzodioxin; 1,3,6,8-Tetrachlorodibenzo-para-dioxin; 1,3,6,8-Tetrachlorobenzo-p-dioxin; 1,3,6,8-Tetrachlorodibenzo[1,4]dioxin; 1,3,6,8-Tetrachlorooxanthrene; 1,3,6,8-Tetrachlorodibenzo[b,e] [1,4]dioxin
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• Information on this page:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
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IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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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

Gas Chromatography

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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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Donnelly, Munslow, et al., 1991
Donnelly, J.R.; Munslow, W.D.; Grange, A.H.; Pettit, T.L.; Simmons, R.D.; Sovocool, G.W., Correlation of structure with linear retention index for bromo- and bromochlorodibenzo-p-dioxins and bromodibenzofurans, J. Chromatogr., 1991, 540, 293-310, https://doi.org/10.1016/S0021-9673(01)88817-8 . [all data]

Donnelly, Munslow, et al., 1991, 2
Donnelly, J.R.; Munslow, W.D.; Grange, A.H.; Pettit, T.L.; Simmons, R.D.; Kumar, K.S.; Sovocool, G.W., A gas chromatographic/mass spectrometric approach for isomer-specific environmental monitoring of the 1700 bromo-, chloro-, and bromoschloro-dibenzo-p-dioxins, Biol. Mass Spectrom., 1991, 20, 5, 329-337, https://doi.org/10.1002/bms.1200200515 . [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

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