Anisole, 2,3,4,5,6-pentachloro-
- Formula: C7H3Cl5O
- Molecular weight: 280.363
- IUPAC Standard InChI: InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
- IUPAC Standard InChIKey: BBABSCYTNHOKOG-UHFFFAOYSA-N
- CAS Registry Number: 1825-21-4
- 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: Benzene, pentachloromethoxy-; Methyl pentachlorophenate; Methyl pentachlorophenyl ether; Pentachloroanisole; Pentachloromethoxybenzene; 2,3,4,5,6-Pentachloroanisole; Methyl pentachlorophenyl ester; NCI-C56520; Pentachlorophenyl methyl ether; PCP, Methyl ether; Phenol, pentachloro-, methylated
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Gas Chromatography
Go To: Top, 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 | SE-30 | 140. | 1681. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | SE-30 | 160. | 1699. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | SE-30 | 180. | 1721. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 140. | 2245. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 160. | 2279. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 180. | 2313. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1741. | Korhonen, 1984 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
| Capillary | SE-30 | 1690. | Korhonen, 1984 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
| Capillary | SE-30 | 1724. | Korhonen, 1984 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1754.2 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-351 | 2315. | Korhonen, 1984 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
| Capillary | OV-351 | 2257. | Korhonen, 1984 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
| Capillary | OV-351 | 2298. | Korhonen, 1984 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1672. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 2 | 1719. | Fuhrer, Deissler, et al., 1997 | 55. m/0.25 mm/0.25 μm, N2; Program: 40C(3min) => 20C/min => 80C => 2C/min => 240C(45min) |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 291.7 | Peterman and Delfino, 1990 | 15. m/0.25 mm/0.25 μm, He; Program: 125 0C (15 min) 1 0C/min -> 131 0C 4 0C/min -> 247 0C 8 0C/min -> 280 0C (15 min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Korhonen, 1984
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XXVIII. Capillary Column Studies of Chlorinated Anisoles,
J. Chromatogr., 1984, 294, 99-116, https://doi.org/10.1016/S0021-9673(01)96118-7
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Fuhrer, Deissler, et al., 1997
Fuhrer, U.; Deissler, A.; Schreitmuller, J.; Ballschmiter, K.,
Analysis of Halogenated Methoxybenzenes and Hexachlorobenzene (HCB) in the Picogram m-3 Range in Marine Air,
Chromatographia, 1997, 45, 1, 414-427, https://doi.org/10.1007/BF02505594
. [all data]
Peterman and Delfino, 1990
Peterman, P.H.; Delfino, J.J.,
Identification of isopropylbiphenyl, alkyl diphenylmethanes, diisopropylnaphthalene, linear alkyl benzenes and other polychlorinated biphenyl replacement compounds in effluents, sediments and fish in the Fox River system, Wisconsin,
Biomed. Environ. Mass Spectrom., 1990, 19, 12, 755-770, https://doi.org/10.1002/bms.1200191203
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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