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CAS No.: | 505-60-2 |
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Name: | Mustard gas |
Molecular Structure: | |
Formula: | C4H8 Cl2 S |
Molecular Weight: | 159.08 |
Synonyms: | Sulfide,bis(2-chloroethyl) (8CI); 1,1'-Thiobis[2-chloroethane]; 1-Chloro-2-(b-chloroethylthio)ethane;2,2'-Dichlorodiethyl sulfide; 2,2'-Dichloroethyl sulfide; Agent HD; Agent THD;Bis(2-chloroethyl) sulfide; Bis(b-chloroethyl) sulfide; Di-2-chloroethyl sulfide; HD; HD (chemical warfareagent); Half mustard; Iprit; Kampstoff Lost; Mustard; Mustard gas; S-Lost;S-Yperite; Senfgas; Sulfur mustard; Sulfur mustard gas; THD; THD (chemicalwarfare agent); Yellow cross liquid; Yperite; b,b'-Dichlorodiethyl sulfide; b,b'-Dichloroethyl sulfide; b-Chloroethylisobutyl sulfide |
Density: | 1.211g/cm3 |
Melting Point: | 13-14° |
Boiling Point: | 216°Cat760mmHg |
Flash Point: | 89.4°C |
Solubility: | slight |
Appearance: | colourless oily liquid |
Safety: | Confirmed human carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. A human poison by inhalation and subcutaneous routes. An experimental poison by inhalation, skin contact, subcutaneous, and intravenous routes. An experimental teratogen. A severe human skin and eye irritant. Human mutation data reported. A military blistering gas. Strongly affects the skin, eyes, lungs, and gastric system. Pulmonary lesions are often fatal. It penetrates the skin deeply and injures blood vessels. Minute amounts can cause inflammation. Secondary infections are common. Combustible when exposed to heat or flame; can be ignited by a large explosive charge. It will react with water or steam to produce toxic and corrosive fumes. Vigorous reaction with oxidizing materials. Incompatible with bleaching powder. To fight fire, use water, foam, CO2, dry chemical. Dangerous; when heated to decomposition or on contact with acid or acid fumes it emits highly toxic fumes of SOx and Cl−. See also SULFIDES and CHLORIDES. |
PSA: | 25.30000 |
LogP: | 2.19720 |
Chemistry informtion about Bis(2-Chloroethyl)Sulfide (CAS NO.505-60-2) is:
IUPAC Name: 1-Chloro-2-(2-Chloroethylsulfanyl)Ethane
Synonyms: Dichlorodiethyl Sulfide ; Mustard Gas ; 2,2`-Dichlorodiethyl Sulfide ; Bis-Β-Chloroethyl Sulfide ; Β,Β'-Dichloroethyl Sulfide ; Bis(Beta-Chloroethyl)Sulphide ; Yperite ; Bis(2-Chloroethyl)Sulphide
MF: C4H8Cl2S
MW: 159.07732
Density: 1.211 g/cm3
Flash Point: 89.4 °C
Boiling Point: 216 °C at 760 mmHg
Vapour Pressure: 0.21 mmHg at 25°C
Enthalpy of Vaporization: 43.39 kJ/mol
Following is the molecular structure of Bis(2-Chloroethyl)Sulfide (CAS NO.505-60-2) is:
Bis(2-Chloroethyl)Sulfide was possibly developed as early as 1822 by M. Depretz (1798–1863). Depretz described the reaction of sulfur dichloride and ethylene but never made mention of any irritating properties of the reaction product which makes the claim doubtful. In 1854, another French chemist Alfred Riche (1829–1908) repeated the procedure but again did not describe any adverse physiological properties. In 1886, chemist Albert Niemann, known as a pioneer in cocaine chemistry, repeated the reaction but this time blister forming properties were recorded. In 1860, Frederick Guthrie synthesised and characterized the compound, and he also noted its irritating properties especially in tasting. In 1886, Viktor Meyer published a paper describing a synthesis which produced good yields. He reacted 2-chloroethanol with aqueous potassium sulfide and treated the resulting thiodiglycol with phosphorus trichloride. The purity of this compound was much higher and the adverse health effects on exposure consequently much more severe. These symptoms presented themselves in an assistant, and in order to rule out that the assistant was suffering from a mental illness (faking the symptoms) Meyer had the compound tested on rabbits, which consequently died. In 1913, English chemist Hans Thacher Clarke (of Eschweiler-Clarke fame) replaced phosphorus trichloride with hydrochloric acid in Meyer's recipe while working with Emil Fischer in Berlin. Clarke was hospitalized for 2 months for burns after a flask broke, and according to him Fischer's subsequent report on this incident to the German Chemical Society set Germany on the chemical weapons track.Germany in World War I relied on the Meyer-Clarke method with a 2-chloroethanol infrastructure already in place in the dye industry of that time.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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cat | LC50 | inhalation | 70mg/m3/10M (70mg/m3) | National Technical Information Service. Vol. PB158-508, | |
dog | LC50 | inhalation | 70mg/m3/10M (70mg/m3) | National Technical Information Service. Vol. PB158-508, | |
dog | LD50 | intravenous | 200ug/kg (0.2mg/kg) | behavioral: convulsions or effect on seizure threshold gastrointestinal: nausea or vomiting behavioral: ataxia | National Technical Information Service. Vol. PB158-507, |
dog | LD50 | skin | 20mg/kg (20mg/kg) | National Technical Information Service. Vol. PB158-507, | |
dog | LDLo | subcutaneous | 5mg/kg (5mg/kg) | behavioral: convulsions or effect on seizure threshold gastrointestinal: nausea or vomiting behavioral: ataxia | National Technical Information Service. Vol. PB158-507, |
domestic animals - goat/sheep | LC50 | inhalation | 190mg/m3/10M (190mg/m3) | National Technical Information Service. Vol. PB158-508, | |
domestic animals - goat/sheep | LD50 | skin | 50mg/kg (50mg/kg) | National Technical Information Service. Vol. PB158-507, | |
domestic animals - goat/sheep | LD50 | subcutaneous | 40mg/kg (40mg/kg) | behavioral: convulsions or effect on seizure threshold gastrointestinal: nausea or vomiting behavioral: ataxia | National Technical Information Service. Vol. PB158-507, |
guinea pig | LC50 | inhalation | 200mg/m3/10M (200mg/m3) | National Technical Information Service. Vol. PB158-508, | |
guinea pig | LD50 | skin | 20mg/kg (20mg/kg) | National Technical Information Service. Vol. PB158-507, | |
guinea pig | LD50 | subcutaneous | 20mg/kg (20mg/kg) | behavioral: convulsions or effect on seizure threshold behavioral: ataxia gastrointestinal: nausea or vomiting | National Technical Information Service. Vol. PB158-507, |
human | LCLo | inhalation | 23ppm/10M (23ppm) | National Technical Information Service. Vol. PB214-270, | |
human | LD50 | oral | 700ug/kg (0.7mg/kg) | Journal of Toxicology and Environmental Health, Part A. Vol. 59, Pg. 471, 2000. | |
human | LD50 | skin | 100mg/kg (100mg/kg) | Journal of Toxicology and Environmental Health, Part A. Vol. 59, Pg. 471, 2000. | |
human | LDLo | skin | 64mg/kg (64mg/kg) | sense organs and special senses: other changes: olfaction sense organs and special senses: conjunctive irritation: eye behavioral: convulsions or effect on seizure threshold | World Health Organization, Technical Report Series. Vol. -, Pg. 24, 1970. |
monkey | LC50 | inhalation | 80mg/m3/10M (80mg/m3) | National Technical Information Service. Vol. PB158-508, | |
mouse | LC50 | inhalation | 120mg/m3/10M (120mg/m3) | National Technical Information Service. Vol. PB158-508, | |
mouse | LD50 | intravenous | 8600ug/kg (8.6mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. | |
mouse | LD50 | skin | 92mg/kg (92mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. | |
mouse | LD50 | subcutaneous | 20mg/kg (20mg/kg) | behavioral: convulsions or effect on seizure threshold gastrointestinal: nausea or vomiting behavioral: ataxia | National Technical Information Service. Vol. PB158-507, |
rabbit | LC50 | inhalation | 280mg/m3/10M (280mg/m3) | National Technical Information Service. Vol. PB158-508, | |
rabbit | LD50 | intravenous | 1100ug/kg (1.1mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. | |
rabbit | LD50 | skin | 40mg/kg (40mg/kg) | behavioral: convulsions or effect on seizure threshold gastrointestinal: nausea or vomiting behavioral: ataxia | National Technical Information Service. Vol. PB158-507, |
rabbit | LD50 | subcutaneous | 20mg/kg (20mg/kg) | behavioral: convulsions or effect on seizure threshold behavioral: ataxia gastrointestinal: nausea or vomiting | National Technical Information Service. Vol. PB158-507, |
rat | LC50 | inhalation | 100mg/m3/10M (100mg/m3) | National Technical Information Service. Vol. PB158-508, | |
rat | LD50 | intravenous | 700ug/kg (0.7mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. | |
rat | LD50 | oral | 17mg/kg (17mg/kg) | Journal of Toxicology and Environmental Health, Part A. Vol. 59, Pg. 471, 2000. | |
rat | LD50 | skin | 5mg/kg (5mg/kg) | behavioral: convulsions or effect on seizure threshold behavioral: ataxia gastrointestinal: nausea or vomiting | National Technical Information Service. Vol. PB158-507, |
rat | LD50 | subcutaneous | 1500ug/kg (1.5mg/kg) | behavioral: food intake (animal) gastrointestinal: "hypermotility, diarrhea" | Canadian Journal of Research, Section E, Medical Sciences. Vol. 25, Pg. 141, 1947. |
NTP 10th Report on Carcinogens. IARC Cancer Review: Group 1 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man 7 (1987),p. 259.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man 9 (1975),p. 181.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man 9 (1975),p. 181.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Extremely Hazardous Substances List. Community Right-To-Know List. EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Confirmed human carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. A human poison by inhalation and subcutaneous routes. An experimental poison by inhalation, skin contact, subcutaneous, and intravenous routes. An experimental teratogen. A severe human skin and eye irritant. Human mutation data reported. A military blistering gas. Strongly affects the skin, eyes, lungs, and gastric system. Pulmonary lesions are often fatal. It penetrates the skin deeply and injures blood vessels. Minute amounts can cause inflammation. Secondary infections are common. Combustible when exposed to heat or flame; can be ignited by a large explosive charge. It will react with water or steam to produce toxic and corrosive fumes. Vigorous reaction with oxidizing materials. Incompatible with bleaching powder. To fight fire, use water, foam, CO2, dry chemical. Dangerous; when heated to decomposition or on contact with acid or acid fumes it emits highly toxic fumes of SOx and Cl−. See also SULFIDES and CHLORIDES.
RIDADR: 2927
HazardClass: 6.1(a)
PackingGroup: I
DFG MAK: Human Carcinogen
Bis(2-Chloroethyl)Sulfide (CAS NO.505-60-2) is a clear amber colored oily liquid with a faint odor of mustard/garlic. It is not readily combustible. Its vapors are heavier than air, are very toxic, and can be absorbed through the skin. The effects from exposure to the material include blindness which may be delayed. Prolonged exposure of the container to fire or intense heat may cause Bis(2-Chloroethyl)Sulfide to violently rupture and rocket. It is also known as dichlorodiethyl sulfide. Reacts with water or steam to produce toxic and corrosive fumes(oxides of sulfur and chlorine) Bis(2-Chloroethyl)Sulfide is incompatible with bleaching powder. Reacts violently with oxidizing materials. Reacts with water or steam to produce toxic and corrosive fumes. Unstable, hydrolyzed in aqueous solution. Avoid high heat; contact with acid or acid fumes. [EPA, 1998].The median lethal dosage is 1500 mg-minute/m3 for inhalation and 10,000 mg-minute/m3 for skin absorption (masked personnel). The median incapacitating dosage is 200 mg-minute/m3 for eye injury and 2000 mg-minute/m3 for skin absorption (masked personnel). Wet skin absorbs more material than dry skin. May cause death or permanent injury after very short exposure to small quantities. It is a blistering gas and is highly irritating to eyes, skin, and lungs. Pulmonary lesions are often fatal. Permanent eye damage and severe respiratory impairment. It is a carcinogen.It can be ignited by large explosive charge. When heated to decomposition, emits highly toxic fumes of oxides of sulfur and chlorine containing compounds. Reacts with water or steam to produce toxic and corrosive fumes. Containers may rupture violently in a fire. Incompatible with bleaching powder. Reacts violently with oxidizing materials. Reacts with water or steam to produce toxic and corrosive fumes. Unstable, hydrolyzed in aqueous solution. Avoid high heat; contact with acid or acid fumes.