Dibenzo-p-dioxin, 2,3,7-trichloro-

Formula: C₁₂H₅Cl₃O₂
Molecular weight: 287.526
IUPAC Standard InChI: InChI=1S/C12H5Cl3O2/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H
IUPAC Standard InChIKey: ZSIZNEVHVVRPFF-UHFFFAOYSA-N
CAS Registry Number: 33857-28-2
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: 2,3,7-Trichlorodibenzo-p-dioxin; 2,3,7-trichlorodibenzodioxin
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Options:
- Switch to calorie-based units

Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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

Column type	Active phase	I	Reference	Comment
Capillary	RTX-5	2160.	Donnelly, Munslow, et al., 1991	30. m/0.25 mm/0.25 μm, He, 170. C @ 1. min, 2. K/min; T_end: 320. C
Capillary	RTX-5	2160.	Donnelly, Munslow, et al., 1991	30. m/0.25 mm/0.25 μm, He, 170. C @ 1. min, 2. K/min; T_end: 320. C
Capillary	RTX-5	2160.	Donnelly, Munslow, et al., 1991, 2	30. m/0.25 mm/0.25 μm, He, 170. C @ 1. min, 2. K/min; T_end: 320. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	2181.	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, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	2188.	Lin, Liu, et al., 2002	Program: not specified
Capillary	DB-5	2189.	Lin, Liu, et al., 2002	Program: not specified

References

Go To: Top, Gas Chromatography, Notes

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]

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]

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, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.