Sesquimustard
- Formula: C6H12Cl2S2
- Molecular weight: 219.195
- IUPAC Standard InChI: InChI=1S/C6H12Cl2S2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
- IUPAC Standard InChIKey: AMGNHZVUZWILSB-UHFFFAOYSA-N
- CAS Registry Number: 3563-36-8
- 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: 1,2-Bis(2-chloroethylthio)ethane; Ethane, 1,2-bis(2-chloro-ethylthio)-; Ethane, 1,2-bis((2-chloroethyl)mercapto)-; HSM 1; Sesqui-mustard Q; Sesquisulfur Mustard; SM 1; SSM; TL 86; Bis(2-chloroethylthio)ethane; 1,2-Bis(β-chloroethylthio)ethane; 1,8-Dichloro-3,6-dithiaoctane; 3,6-Dithia-1,8-octanedichloride; Agent Q; NSC 30025
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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 | SE-54 | SE-54 | SE-54 | DB-5 | DB-5 |
| Column length (m) | 25. | 25. | 25. | 15. | 15. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.53 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 40. | 40. | 50. | 50. |
| Tend (C) | 280. | 280. | 280. | 300. | |
| Heat rate (K/min) | 10. | 10. | 10. | 10. | 10. |
| Initial hold (min) | 1. | 1. | 1. | 2. | 2. |
| Final hold (min) | 10. | 5. | |||
| I | 1703.3 | 1689.48 | 1690.10 | 1694. | 1688.8 |
| Reference | Kostiainen, 2000 | Kaipainen, Kostiainen, et al., 1992 | Kaipainen, Kostiainen, et al., 1992 | Hancock and Peters, 1991 | D'agostino and Provost, 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | DB-5 |
| Column length (m) | 15. | 15. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. |
| Tend (C) | 300. | 300. |
| Heat rate (K/min) | 10. | 10. |
| Initial hold (min) | 2. | 2. |
| Final hold (min) | 5. | |
| I | 1688.8 | 1688.2 |
| Reference | D'Agostino and Provost, 1985 | D'Agostino and Provost, 1985 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kostiainen, 2000
Kostiainen, O.,
Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention
in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s)., John Wiley Sons Ltd, Chichester, 2000, 963-979. [all data]
Kaipainen, Kostiainen, et al., 1992
Kaipainen, A.; Kostiainen, O.; Riekkola, M.-L.,
Identification of chemical warfare agents in air samples using capillary column gas chromatography with three simultaneous detectors,
J. Microcolumn Sep., 1992, 4, 3, 245-251, https://doi.org/10.1002/mcs.1220040311
. [all data]
Hancock and Peters, 1991
Hancock, J.R.; Peters, G.R.,
Retention index monitoring of compounds of chemical defence interest using thermal desorption gas chromatography,
J. Chromatogr., 1991, 538, 2, 249-257, https://doi.org/10.1016/S0021-9673(01)88845-2
. [all data]
D'agostino and Provost, 1988
D'agostino, P.A.; Provost, L.R.,
Gas chromatographic retention indices of sulphur vesicants and related compounds,
J. Chromatogr., 1988, 436, 399-411, https://doi.org/10.1016/S0021-9673(00)94599-0
. [all data]
D'Agostino and Provost, 1985
D'Agostino, P.A.; Provost, L.R.,
Gas chromatographic retention indices of chemical warfare agents and simulants,
J. Chromatogr., 1985, 331, 47-54, https://doi.org/10.1016/0021-9673(85)80005-4
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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