Mustard gas

Base Information Edit

Chemical Name:Mustard gas
CAS No.:505-60-2
Deprecated CAS:39472-40-7,68157-62-0,69020-37-7,172672-70-7,68157-62-0,69020-37-7
Molecular Formula:C4H8 Cl2 S
Molecular Weight:159.08
Hs Code.:2930909014
European Community (EC) Number:684-527-7
ICSC Number:0418
UN Number:2810
UNII:T8KEC9FH9P
DSSTox Substance ID:DTXSID0037100
Nikkaji Number:J1.571G
Wikipedia:Mustard_gas,Bis(2-chloroethyl)sulfide
Wikidata:Q81166
NCI Thesaurus Code:C44406
Metabolomics Workbench ID:53971
ChEMBL ID:CHEMBL455341
Mol file:505-60-2.mol

Synonyms:Bis(beta-chloroethyl) Sulfide;Di 2 chloroethyl Sulfide;Di-2-chloroethyl Sulfide;Dichlorodiethyl Sulfide;Gas, Mustard;Mustard Gas;Mustard, Sulfur;Mustardgas;Psoriazin;Sulfide, Di-2-chloroethyl;Sulfide, Dichlorodiethyl;Sulfur Mustard;Yellow Cross Liquid;Yperite

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Chemical Property of Mustard gas Edit

Chemical Property:

Appearance/Colour:colourless oily liquid
Melting Point:13-14°
Refractive Index:nD20 1.53125
Boiling Point:216°Cat760mmHg
Flash Point:89.4°C
PSA：25.30000
Density:1.211g/cm³
LogP:2.19720
Water Solubility.:0.69g/L(25 oC)
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:157.9723768
Heavy Atom Count:7
Complexity:28.9

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Toxic Gases & Vapors -> Chemical Weapons
Canonical SMILES:C(CCl)SCCCl
Recent ClinicalTrials:Effects of a Specific Spice on Energy Metabolism
Inhalation Risk:A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
Effects of Short Term Exposure:Blistering agent. Lachrymation. The substance is severely irritating to the eyes, skin and respiratory tract. Inhalation may cause lung oedema. The effects may be delayed. Medical observation is indicated.
Effects of Long Term Exposure:Repeated or prolonged contact with skin may cause dermatitis. Repeated or prolonged inhalation may cause effects on the lungs. The substance may have effects on the eyes. This may result in impaired functions. This substance is carcinogenic to humans.
Description Mustard gas/sulphur mustard is an organic chemical substance synthesised by treating sulphur dichloride with ethylene. Mustard gas is a chemical substance closely related to chemical warfare class agents. It is a cytotoxic and vesicant chemical substance, and exposures are known to cause blisters on the exposed skin. Pure mustard gas/sulphur mustards are colourless, viscous liquids at room temperature. However, when used in impure form, such as warfare agents, they appear as yellow brown in colour. As the name indicates, mustard gas has an odour resembling the garlic, horseradish, or mustard plants. Mustard gas is the common name given to 1,1-thiobis(2-chloroethane), a chemical warfare agent that is believed to have first been used near Ypres in Flanders on 12 July 1917. Mustard gas is a thick liquid at ambient temperature. It is heavier than water as a liquid and heavier than air as a vapour. It does not occur naturally in the environment. Pure liquid mustard gas is colourless and odourless. It is stable, combustible, and incompatible with strong oxidising agents. Mustard gas on mixing with other chemical substances appears brown in colour and gives off a garlic-like smell. When heated, it decomposes and emits highly toxic, corrosive fumes and fumes of oxides of sulphur and chlorine-containing compounds. It is soluble in fats and oils, gasoline, kerosene, acetone, carbon tetrachloride, alcohol, tetrachloroethane, ethylbenzoate, and ether, and solubility in water is negligible. It is miscible with the OP nerve agents. During earlier years, mustard gas was in use as an important chemical warfare agent. In fact, it was used in large amounts during World Wars I and II. Mustard gas was first used by the German army in 1917. It was one of the most lethal of all the poisonous chemicals used during the war. It was reportedly used in the Iran–Iraq war in 1980–1988. It is not presently used in the United States, except for research purposes.
Uses Formerly in chemical warfare. In biological studies of alkylating agents. As a vesicant in chemical warfare. Although US stockpiles were thought to exist only through the early 1970s, several other countries currently maintain large stockpiles that present an imminent danger from accidental or intentional exposure.1 Also used in small quantities as a model compound in biological studies on alkylating agents. Sulfur mustard (SM) is a chemical warfare agent belonging to the blister agent/vesicant class. It is a cytotoxic and alkylating compound similar to other types of vesicants or blister agents such as nitrogen mustard, lewisite, and phosgene oxide. SM was used on a large scale during World War I and in the Iraq– Iran conflict in 1983–1988. It was also used by Italian troops in Ethiopia (1935–1936) and by Egyptian forces in Yemen (1963–1967). Most of the Iranian patients are still suffering from the delayed toxic effects and complications of SM poisoning.

Technology Process of Mustard gas

There total 18 articles about Mustard gas which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%