Clomethiazole
- Formula: C6H8ClNS
- Molecular weight: 161.652
- IUPAC Standard InChI: InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: PCLITLDOTJTVDJ-UHFFFAOYSA-N
- CAS Registry Number: 533-45-9
- 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: Thiazole, 5-(2-chloroethyl)-4-methyl-; Chlorethiazol; Chlorethiazole; Chlormethiazol; Chlormethiazole; 5-(2-Chloroethyl)-4-methylthiazole; Clomethiazolum; Distraneurin; Emineurina; 4-Methyl-5-(β-chloroethyl)thiazole; Somnevrin; WY 1485; Chloro-S.C.T.Z.; Thiazole, 4-methyl-5-(2-chloroethyl)
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Gas Chromatography
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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 | BP-1 | 130. | 1221. | Japp, Gill, et al., 1987 | 25. m/0.22 mm/0.25 μm, N2 |
| Capillary | DB-1 | 130. | 1221. | Japp, Gill, et al., 1987 | 30. m/0.53 mm/1.5 μm, N2 |
| Capillary | BP-1 | 130. | 1228. | Japp, Gill, et al., 1987 | 25. m/0.53 mm/1. μm, N2 |
| Packed | OV-1 | 150. | 1235. | Berninger and Möller, 1977 |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1230. | Maurer, 1990 | N2, 100. C @ 3. min, 30. K/min, 310. C @ 5. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1245. | Aderjan and Bogusz, 1988 | 10. m/0.53 mm/5.0 μm, He; Program: 100 0C (2 min ) 15 0C/min -> 200 0C 10 0C/min -> 300 0C (8 min hold) |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1240. | Bogusz, Bialka, et al., 1986 | 10. m/0.53 mm/5.2 μm; Program: 100 0C (2 min) 20 0C/min -> 180 0C 7.5 0C/min -> 280 0C (6 min) |
| Capillary | CP Sil 5 CB | 1230. | Bogusz, Bialka, et al., 1986 | 10. m/0.53 mm/5.2 μm; Program: not specified |
| Other | Methyl Silicone | 1230. | Ardrey and Moffat, 1981 | Program: not specified |
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.
Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D.,
Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns,
J. Forensic Sci., 1987, 32, 6, 1574-1586. [all data]
Berninger and Möller, 1977
Berninger, H.; Möller, M.R.,
Retentionsindices zur gaschromatographischen Identifizierung von Arzneimitteln,
Arch. Toxicol., 1977, 37, 4, 295-305, https://doi.org/10.1007/BF00330821
. [all data]
Maurer, 1990
Maurer, H.H.,
Identification and differentiation of barbiturates, other sedative-hypnotics and their metabolites in urine integrated in a general screening procedure using computerized gas chromatography-mass spectrometry,
J. Chromatogr., 1990, 530, 307-326, https://doi.org/10.1016/S0378-4347(00)82334-8
. [all data]
Aderjan and Bogusz, 1988
Aderjan, R.; Bogusz, M.,
Nitroalkanes as a multidetector retention index scale for drug identification in gas chromatography,
J. Chromatogr., 1988, 454, 345-351, https://doi.org/10.1016/S0021-9673(00)88629-X
. [all data]
Bogusz, Bialka, et al., 1986
Bogusz, M.; Bialka, J.; Gierz, J.; Klys, M.,
Use of short, wide-bore capillary columns in GC toxicological screening,
J. Anal. Toxicol., 1986, 10, 4, 135-138, https://doi.org/10.1093/jat/10.4.135
. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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