Phenol, 2,4-dichloro-
- Formula: C6H4Cl2O
- Molecular weight: 163.001
- IUPAC Standard InChI: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
- IUPAC Standard InChIKey: HFZWRUODUSTPEG-UHFFFAOYSA-N
- CAS Registry Number: 120-83-2
- 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: DCP; 2,4-Dichlorophenol; 4,6-Dichlorophenol; NCI-C55345; 1-Hydroxy-2,4-dichlorobenzene; 2,4-DCP; Rcra waste number U081; 1,3-Dichloro-4-hydroxybenzene; NSC 2879
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Normal alkane RI, non-polar column, custom temperature program
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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | Methyl Silicone | PTE-5 | Ultra-2 |
| Column length (m) | 25. | 25. | |||
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.20 | |||
| Phase thickness (μm) | 0.33 | 0.33 | |||
| Program | not specified | not specified | not specified | 50 0C (2 min) 30 0C/min -> 200 0C 8 0C/min -> 280 0C (10 min) | 50 0C (2 min) 30 0C/min -> 200 0C 8 0C/min -> 280 0C (10 min) |
| I | 1188. | 1193. | 1160. | 1189. | 1189. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Yu and Zazhi, 2005 | Nakano, Fujimori, et al., 1992 | Nakano, Fujimori, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | SE-30 | SE-30 | OV-1 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
| Column length (m) | 60. | 50. | 50. | |
| Carrier gas | N2 | Hydrogen | Hydrogen | |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | |
| Phase thickness (μm) | ||||
| Program | not specified | 50C(8min) => 3C/min => 150C => 35C/min => 275C (10min) | not specified | not specified |
| I | 1183. | 1144. | 1140. | 1140. |
| Reference | Peterson, 1992 | Ibrahim and Suffet, 1988 | Waggott and Davies, 1984 | Waggott and Davies, 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Yu and Zazhi, 2005
Yu, H.; Zazhi, J.,
Relationship between chromatogram retention index and toxicity of chlorinated phenols and chlorinated benzenes to Guppy,
J. Enviropn. Health (Chinese), 2005, 22, 6, 441-444. [all data]
Nakano, Fujimori, et al., 1992
Nakano, T.; Fujimori, K.; Takaishi, Y.; Okuno, T.,
GC/MS-SIM analysis of polychlorobenzenes, polychlorophenols and polychloronaphthalenes,
Report of the Environmental Science Institute of Hyogo Prefecture, 1992, 24, 30-37. [all data]
Peterson, 1992
Peterson, K.L.,
Counter-Propagation Neural Networks in the Modeling and Prediction of Kovats Indices for Substituted Phenols,
Anal. Chem., 1992, 64, 4, 379-386, https://doi.org/10.1021/ac00028a011
. [all data]
Ibrahim and Suffet, 1988
Ibrahim, E.A.; Suffet, I.H.,
Freon FC-113, an Alternative to Methylene Chloride for Liquid-Liquid Extraction of Trace Organics from Chlorinated Drinking Water,
J. Chromatogr., 1988, 454, 217-232, https://doi.org/10.1016/S0021-9673(00)88615-X
. [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
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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