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

Formula: C₁₂H₅Cl₅
Molecular weight: 326.433
IUPAC Standard InChI: InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H
IUPAC Standard InChIKey: GXNNLIMMEXHBKV-UHFFFAOYSA-N
CAS Registry Number: 38379-99-6
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: 2,3,6,2',5'-Pentachlorobiphenyl; 2,5,2',3',6'-Pentachlorobiphenyl; 2,2',3,5',6-Pentachloro-1,1'-biphenyl; 2,2',3,5',6-Pentachlorobiphenyl; PCB-95
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Information on this page:
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

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

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 5 CB	2003.	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.	2048.	Ballschmiter and Zell, 1980	H2; Column length: 40. m; Column diameter: 0.30 mm
Capillary	Apiezon L	180.	2048.	Ballschmiter and Zell, 1980	H2; Column length: 40. m; Column diameter: 0.30 mm
Capillary	Apiezon L	180.	2048.	Ballschmiter and Zell, 1980	H2; Column length: 40. m; Column diameter: 0.30 mm
Capillary	Apiezon L	205.	2089.	Sissons and Welti, 1971	He; Column length: 15. m; Column diameter: 0.20 mm

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	2003.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

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]

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]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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