1,1'-Biphenyl, 3,3',4,4'-tetrachloro-
- Formula: C12H6Cl4
- Molecular weight: 291.988
- IUPAC Standard InChI: InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
- IUPAC Standard InChIKey: UQMGJOKDKOLIDP-UHFFFAOYSA-N
- CAS Registry Number: 32598-13-3
- 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: Biphenyl, 3,3',4,4'-tetrachloro-; 3,3',4,4'-Tetrachlorobiphenyl; 3,4,3',4'-Tetrachlorobiphenyl; 4-CB; TCB; 3,3',4,4'-Tetrachloro-1,1'-biphenyl; PCB 77
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
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
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | T.L.Hayes, Battelle Columbus Laboratories, Columbus, OH 43221 |
| NIST MS number | 80774 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Apiezon L | 200. | 2237. | Krupcík, Leclercq, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 200. | 2147.1 | Krupcik, Leclercq, et al., 1976 | Column length: 50. m |
| Capillary | OV-101 | 200. | 2146.6 | Krupcik, Leclercq, et al., 1976 | Column length: 50. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2231.2 | Castello and Testini, 1996 | 180. C @ 2. min, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 260. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Apiezon L | 180. | 2228. | Ballschmiter and Zell, 1980 | H2; Column length: 40. m; Column diameter: 0.30 mm |
| Capillary | Apiezon L | 180. | 2228. | Ballschmiter and Zell, 1980 | H2; Column length: 40. m; Column diameter: 0.30 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Apolane | 2234. | 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 | 2236. | 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
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Krupcík, Leclercq, et al., 1980
Krupcík, J.; Leclercq, P.A.; Garaj, J.; Símová, A.,
Analysis of alkylated mixtures of polychlorinated biphenyls by capillary gas chromatography-mass spectrometry,
J. Chromatogr., 1980, 191, 207-220, https://doi.org/10.1016/S0021-9673(00)86381-5
. [all data]
Krupcik, Leclercq, et al., 1976
Krupcik, J.; Leclercq, P.A.; Símová, A.; Suchánek, P.; Collák, M.; Hrivnák, J.,
Possibilities and limitations of capillary gas chromatography and mass spectrometry in the analysis of polychlorinated biphenyls,
J. Chromatogr., 1976, 119, 271-283, https://doi.org/10.1016/S0021-9673(00)86791-6
. [all data]
Castello and Testini, 1996
Castello, G.; Testini, G.,
Determination of retention indices of polychlorobiphenyls by using other compounds detectable by electron-capture detection or selected polychlorobiphenyls as the reference series,
J. Chromatogr. A, 1996, 741, 2, 241-249, https://doi.org/10.1016/0021-9673(96)00160-4
. [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]
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
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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