1,1'-Biphenyl, 2,2',3,5,5',6-hexachloro-

Formula: C₁₂H₄Cl₆
Molecular weight: 360.878
IUPAC Standard InChI: InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H
IUPAC Standard InChIKey: UHCLFIWDCYOTOL-UHFFFAOYSA-N
CAS Registry Number: 52663-63-5
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: 2,3,5,6,2',5'-Hexachlorobiphenyl; 2,2',3,5,5',6-Hexachloro-1,1'-biphenyl; PCB-151
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Other data available:
- Mass spectrum (electron ionization)
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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	CP Sil 5 CB	2147.	Wells, Gillespie, et al., 1985	120. C @ 1. min, 3. K/min; Column length: 25. m; Column diameter: 0.22 mm; T_end: 250. C

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Apiezon L	180.	2197.	Ballschmiter and Zell, 1980	H2; Column length: 40. m; Column diameter: 0.30 mm
Capillary	Apiezon L	180.	2197.	Ballschmiter and Zell, 1980	H2; Column length: 40. m; Column diameter: 0.30 mm
Capillary	Apiezon L	180.	2198.	Ballschmiter and Zell, 1980	H2; Column length: 40. m; Column diameter: 0.30 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	2157.	Nakano, Tsuji, et al., 1987	30. m/0.25 mm/0.25 μm, 4. K/min; T_start: 130. C; T_end: 280. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	Apolane	2207.	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	2208.	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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Wells, Gillespie, et al., 1985
Wells, D.E.; Gillespie, M.J.; Porter, A.E.A., Dichlorobenzyl alkyl ether homologs as retention index markers and internal standards for the analysis of environmental samples using capillary gas chromatography, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 8, 443-449, https://doi.org/10.1002/jhrc.1240080818 . [all data]

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]

Nakano, Tsuji, et al., 1987
Nakano, T.; Tsuji, M.; Okuno, T., Analytical methods for PCB using GC/ECD and GC/MS with capillary column, Report of the Environmental Science Institute of Hyoho Prefecture, 1987, 19, 57-62. [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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