Mustard Gas
- Formula: C4H8Cl2S
- Molecular weight: 159.077
- IUPAC Standard InChI: InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2
- IUPAC Standard InChIKey: QKSKPIVNLNLAAV-UHFFFAOYSA-N
- CAS Registry Number: 505-60-2
- 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: Bis(2-chloroethyl) sulfide; Sulfur mustard; HD; Ethane, 1,1'-thiobis[2-chloro-; 1,1'-Thiobis(2-chloroethane); Yellow cross liquid; Kampfstoff "lost"; Yperite; 2,2'-Dichlorodiethyl sulfide; 1-Chloro-2-(β-chloroethylthio)ethane; Sulfur mustard gas; Schwefel-lost; Distilled mustard; Mustard HD; Gelbkreuz; S Lost; S Mustard; Mustard, sulfur; Mustard Vapor; Mustard; Sulfide, bis(2-chloroethyl); beta,beta'-Dichlorodiethyl sulfide; β,β'-Dichloroethyl sulfide; β-Chloroethylisobutyl sulfide; 2,2'-Dichloroethyl sulfide; Agent hd; Bis(β-chloroethyl) sulfide; Di(2-chloroethyl) sulfide; β,β-Dichloroethyl sulfide; Iprit; Kampstoff lost; Lost; S-Yperite; Senfgas; Yellow cross gas; Bis(2-chloroethyl) sulphide; Agent THD; THD
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Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1178. | Kostiainen, 2000 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 10. min |
| Capillary | SE-54 | 1177. | Salehuddin, 1997 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 1. min |
| Capillary | SE-54 | 1177.07 | Salehuddin, 1997 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 1. min |
| Capillary | SE-54 | 1177.07 | Salehuddin, 1997 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 1. min |
| Capillary | SE-54 | 1173.25 | Kaipainen, Kostiainen, et al., 1992 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min; Tend: 280. C |
| Capillary | SE-54 | 1173.59 | Kaipainen, Kostiainen, et al., 1992 | 25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min; Tend: 280. C |
| Capillary | DB-1 | 1136. | Hancock and Peters, 1991 | He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm |
| Capillary | DB-5 | 1175.5 | Hancock and Peters, 1991 | He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm |
| Capillary | DB-1 | 1124. | 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 | 1172.7 | D'agostino and Provost, 1988 | 15. m/0.32 mm/0.25 μm, 50. C @ 2. min, 10. K/min, 300. C @ 5. min |
| Capillary | DB-1 | 1123.8 | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min |
| Capillary | DB-1 | 1124.8 | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min |
| Capillary | DB-5 | 1172.7 | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min; Tend: 300. C |
| Capillary | DB-5 | 1174.1 | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1820. | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 250. C @ 5. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1178. | Hanaoka, Nomura, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 100. C @ 5. min, 10. K/min; Tend: 280. C |
| Capillary | DB-5 | 1183. | Hanaoka, Nomura, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 100. C @ 5. min, 10. K/min; Tend: 280. C |
| Capillary | HP-5 | 1131. | 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 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane | 1175. | Staples, 2006 | Program: not specified |
| Capillary | 5 % Phenyl methyl siloxane | 1178. | OPCW, 1997 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1131. | Zenkevich and Chupalov, 1996 | Program: not specified |
| Capillary | DB-1 | 1124. | Tarjan, Nyiredy, et al., 1989 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1124. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; 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.
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]
Salehuddin, 1997
Salehuddin, S.M.,
Study of chemical warfare agens by retention index method with dual-channel high resolution gas chromatography and high performance liquid chromatography,
J. Bangladesh Acad. Sci., 1997, 21, 2, 159-164. [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]
Hanaoka, Nomura, et al., 2006
Hanaoka, S.; Nomura, K.; Wada, T.,
Determination of mustard and lewisite related compounds in abandoned chemical weapons (Yellow shells) from sources in China and Japan,
J. Chromatogr. A, 2006, 1101, 1-2, 268-277, https://doi.org/10.1016/j.chroma.2005.10.028
. [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]
Staples, 2006
Staples, E.J.,
Creating a compound library for chemical warfare agents for the ZNose, 2006, retrieved from http://www.estcal.com/TechPapers/Security/CWA-Libraries.pdf. [all data]
OPCW, 1997
OPCW,
Conference of the States Parties C-I/DEC.64 (22 May 1997), 1997, retrieved from http://www.opcw.org/html/global/cseries/csp1/CIDEC64.html. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Tarjan, Nyiredy, et al., 1989
Tarjan, G.; Nyiredy, Sz.; Gyor, M.; Lombosi, E.R.; Lombosi, T.S.; Budahegyi, M.V.; Meszaros, S.Y.; Takacs, J.M.,
Review. Thirtieth Anniversary of the Retention Index According to Kovats in Gas-Liquid Chromatography,
J. Chromatogr., 1989, 472, 1-92, https://doi.org/10.1016/S0021-9673(00)94099-8
. [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, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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