Benzene, 1-chloro-4-methoxy-
- Formula: C7H7ClO
- Molecular weight: 142.583
- IUPAC Standard InChI: InChI=1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
- IUPAC Standard InChIKey: YRGAYAGBVIXNAQ-UHFFFAOYSA-N
- CAS Registry Number: 623-12-1
- 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: Anisole, p-chloro-; p-Chloroanisole; p-Chloromethoxybenzene; p-Chlorophenyl methyl ether; Anisyl chloride; 1-Chloro-4-methoxybenzene; 4-Chloroanisole; 4-Chlorophenol methyl ether; para-Chloroanisole; 1-Methoxy-4-chlorobenzene; NSC 4129; p-Methoxychlorobenzene; p-chloroanisol
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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 | NIST Mass Spectrometry Data Center, 1990. |
| NIST MS number | 118553 |
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 |
|---|---|---|---|---|---|
| Packed | Apolane | 150. | 1120. | Evans and Haken, 1987 | He, Chromosorb G AW DCMS; Column length: 3.7 m |
| Packed | Apolane | 150. | 1120. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m |
| Capillary | SE-30 | 140. | 1090. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | SE-30 | 160. | 1094. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | SE-30 | 180. | 1108. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | Apiezon M | 1131.7 | Jalali-Heravi and Garkani-Nejad, 1993 | Chromosorb W; Column length: 2. m; Program: not specified |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1592. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm |
| Capillary | OV-351 | 140. | 1648. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 160. | 1656. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 180. | 1645. | 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 | OV-1 | 1079.5 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
| Capillary | SE-30 | 1093. | Korhonen, 1984 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
| Capillary | SE-30 | 1082. | Korhonen, 1984 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
| Capillary | SE-30 | 1090. | 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 | 1123.5 | 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 | 1630. | Korhonen, 1984 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
| Capillary | OV-351 | 1607. | Korhonen, 1984 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
| Capillary | OV-351 | 1613. | 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 | 1077. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
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.
Evans and Haken, 1987
Evans, M.B.; Haken, J.K.,
Dispersion and selectivity indices of the halogenated derivatives of cyclohexane, benzene and anisole,
J. Chromatogr., 1987, 389, 240-244, https://doi.org/10.1016/S0021-9673(01)94428-0
. [all data]
Haken and Vernon, 1986
Haken, J.K.; Vernon, F.,
Gas chromatography of halogenated derivatives of cyclohexane, benzene and anisole,
J. Chromatogr., 1986, 361, 57-61, https://doi.org/10.1016/S0021-9673(01)86893-X
. [all data]
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]
Jalali-Heravi and Garkani-Nejad, 1993
Jalali-Heravi, M.; Garkani-Nejad, Z.,
Prediction of gas chromatographic retention indices of some benzene derivatives,
J. Chromatogr., 1993, 648, 2, 389-393, https://doi.org/10.1016/0021-9673(93)80421-4
. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [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]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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