1,1'-Biphenyl, 2,2',3,4,4',5'-hexachloro-

Formula: C₁₂H₄Cl₆
Molecular weight: 360.878
IUPAC Standard InChI: InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H
IUPAC Standard InChIKey: RPUMZMSNLZHIGZ-UHFFFAOYSA-N
CAS Registry Number: 35065-28-2
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: 2,2',3,4,4',5'-Hexachlorobiphenyl; 2,2',3',4,4',5-Hexachlorobiphenyl; 2,3,4,2',4',5'-Hexachlorobiphenyl; PCB-138
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Other data available:
- Phase change data
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Normal alkane RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Apiezon L	180.	2343.	Ballschmiter and Zell, 1980	H2; Column length: 40. m; Column diameter: 0.30 mm
Capillary	Apiezon L	180.	2343.	Ballschmiter and Zell, 1980	H2; Column length: 40. m; Column diameter: 0.30 mm
Capillary	Apiezon L	180.	2343.	Ballschmiter and Zell, 1980	H2; Column length: 40. m; Column diameter: 0.30 mm
Capillary	Apiezon L	205.	2390.	Sissons and Welti, 1971	He; Column length: 15. m; Column diameter: 0.20 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	2311.	Zenkevich, Moeder, et al., 2004	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 3. K/min, 280. C @ 20. min

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Apolane	2355.	Bush, Murphy, et al., 1985	He; Column length: 50. m; Column diameter: 0.25 mm; Program: 70 0C (2 min) 10 0C/min (6 min) 2 0C/min -> 250 0C
Capillary	Apolane	2364.	Bush, Murphy, et al., 1985	He; Column length: 50. m; Column diameter: 0.25 mm; Program: 70 0C (2 min) 10 0C/min (6 min) 2 0C/min -> 250 0C

References

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Ballschmiter and Zell, 1980
Ballschmiter, K.; Zell, M., Analysis of polychlorinated biphenyls (PCB) by glass capillary gas chromatography, Fresenius Z. Anal. Chem., 1980, 302, 1, 20-31, https://doi.org/10.1007/BF00469758 . [all data]

Sissons and Welti, 1971
Sissons, D.; Welti, D., Structural Identification of Polychlorinated Biphenyls in Commercial Mixtures by Gas-Liquid Chromatography, Nuclear Magnetic Resonance and Mass Spectrometry, J. Chromatogr., 1971, 60, 15-32, https://doi.org/10.1016/S0021-9673(00)95526-2 . [all data]

Zenkevich, Moeder, et al., 2004
Zenkevich, I.G.; Moeder, M.; Koeller, G.; Schrader, S., Using new structurally related additive schemes in the precalculation of gas chromatographic retention indices of polychlorinated hydroxybiphenyls on HP-5 stationary phase, J. Chromatogr. A, 2004, 1025, 2, 227-236, https://doi.org/10.1016/j.chroma.2003.10.106 . [all data]

Bush, Murphy, et al., 1985
Bush, B.; Murphy, M.J.; Connor, S.; Snow, J.; Barnard, E., Improvements in Glass Capillary Gas Chromatographic Polychlorobiphenyl Analysis, J. Chromatogr. Sci., 1985, 23, 11, 509-515, https://doi.org/10.1093/chromsci/23.11.509 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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