Propane, 1-chloro-3-((2-chloroethyl)thio)-
- Formula: C5H10Cl2S
- Molecular weight: 173.104
- IUPAC Standard InChI: InChI=1S/C5H10Cl2S/c6-2-1-4-8-5-3-7/h1-5H2
- IUPAC Standard InChIKey: NXRPRUPNFDEDSY-UHFFFAOYSA-N
- CAS Registry Number: 71784-01-5
- 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-Chloro-3-((2-chloroethyl)thio)propane; 2-Chloroethyl-3-chloropropyl sulfide
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Mass spectrum (electron ionization)
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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
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 | A.A.Kutin, Moscow, Russia |
| NIST MS number | 273272 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1169. | Kostiainen, 2000 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 280. C @ 10. min |
| Capillary | SE-54 | 1212.6 | Kostiainen, 2000 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 10. min |
| Capillary | DB-1 | 1169. | D'agostino and Provost, 1988 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min |
| Capillary | DB-5 | 1212.6 | D'agostino and Provost, 1988 | 15. m/0.32 mm/0.25 μm, 50. C @ 2. min, 10. K/min, 300. C @ 5. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1174. | Mazurek, Witkiewicz, et al., 2001 | He, 40. C @ 3. min, 10. K/min, 280. C @ 30. min; Column length: 30. m; Column diameter: 0.32 mm |
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.
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]
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]
Mazurek, Witkiewicz, et al., 2001
Mazurek, M.; Witkiewicz, Z.; Popiel, S.; Sliwakowski, M.,
Capillary gas chromatography-atomic emission spectroscopy-mass spectrometry analysis of sulphur mustard and transformation products in a block recovered from the Baltic Sea,
J. Chromatogr. A, 2001, 919, 1, 133-145, https://doi.org/10.1016/S0021-9673(01)00672-0
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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