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Substance Name: Sulfur mustard
RN: 505-60-2
UNII: T8KEC9FH9P
InChIKey: QKSKPIVNLNLAAV-UHFFFAOYSA-N
Note
- Severe irritant and vesicant of skin, eyes, and lungs. It may cause blindness and lethal lung edema and was formerly used as a war gas. The substance has been proposed as a cytostatic and for treatment of psoriasis. It has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP-85-002, 1985) (Merck, 11th ed).
Molecular Formula
- C4-H8-Cl2-S
Molecular Weight
- 159.079
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Blister Agent
- Chemical Warfare Agents
- Dermatologic Agents
- Human Data
- Mutation Data
- Noxae
- Poisons
- Reproductive Effect
- Skin / Eye Irritant
- Tumor Data
Superlist Classification Codes
- Known to be a Carcinogen
- Overall Carcinogenic Evaluation: Group 1
- Threshold Planning Quantity (TPQ) = 500 lb
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Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
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Names and Synonyms
Results Name
- Sulfur mustard
Name of Substance
- Bis(2-chloroethyl)sulfide
- Mustard gas
MeSH Heading
- Mustard gas
Synonyms
- 1,1'-Thiobis(2-chloroethane)
- 1-Chloro-2-(beta-chloroethylthio)ethane
- 2,2'-Dichlorodiethyl sulfide
- 2,2'-Dichlorodiethyl sulphide
- 2,2'-Dichloroethyl sulfide
- 2,2'-Dichloroethyl sulphide
- 4-01-00-01407 (Beilstein Handbook Reference)
- Agent HD
- Agent THD
- beta,beta'-Dichloroethyl sulfide
- beta,beta'-Dichloroethyl sulphide
- beta,beta-Dichlor-ethyl-sulphide
- Bis(2-chloroethyl) sulfide
- Bis(2-chloroethyl)sulfide
- Bis(2-chloroethyl)sulphide
- Bis(beta-chloroethyl)sulfide
- Bis(beta-chloroethyl)sulphide
- BRN 1733595
- CCRIS 570
- Di-2-chloroethyl sulfide
- Di-2-chloroethyl sulphide
- Dichlorodiethyl sulfide
- Diethyl sulfide, 2,2'-dichloro
- Distilled mustard
- Ethane, 1,1'-thiobis(2-chloro-
- Gelbkreuz
- Gelbkreuz [Czech]
- HD
- HSDB 336
- Iprit
- Kampstoff lost
- Lost
- Mustard gas
- Mustard HD
- Mustard vapor
- Mustard, sulfur
- Psoriasin
- S mustard
- S-Lost
- S-Yperite
- Schwefel-lost
- Senfgas
- Sulfide, bis(2-chloroethyl)
- Sulfur mustard
- Sulfur mustard gas
- Sulphur mustard
- Sulphur mustard gas
- THD
- UN 2927
- UNII-T8KEC9FH9P
- Yellow Cross Gas
- Yellow cross liquid
- Yperite
Systematic Names
- Ethane, 1,1'-thiobis(2-chloro-
- Sulfide, bis(2-chloroethyl)
- Sulfur mustard
Superlist Names
- Dichloroethyl sulfide
- Dichloroethyl sulfide [Forbidden]
- Ethane, 1,1'-thiobis(2-chloro-
- Mustard gas
- Sulphur mustard
Registry Numbers
CAS Registry Number
- 505-60-2
FDA UNII
- T8KEC9FH9P
Other Registry Numbers
- 172672-70-7
- 39472-40-7
- 68157-62-0
- 69020-37-7
System Generated Number
- 0000505602
Structure Descriptors
InChI
1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2InChIKey
QKSKPIVNLNLAAV-UHFFFAOYSA-NSmiles
S(CCCl)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| 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 BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING | 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: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | 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 BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING | 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) | GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | 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: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION | 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) | GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | 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) | GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. PB158-507, |
| rabbit | LD50 | subcutaneous | 20mg/kg (20mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | 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 GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. PB158-507, |
| rat | LD50 | subcutaneous | 1500ug/kg (1.5mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: FOOD INTAKE (ANIMAL) | Canadian Journal of Research, Section E, Medical Sciences. Vol. 25, Pg. 141, 1947. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 13.5 | deg C | EXP | |
| Boiling Point | 216 | deg C | EXP | |
| log P (octanol-water) | 2.410 | (none) | EST | |
| Water Solubility | 684 | mg/L | 25 | EXP |
| Vapor Pressure | 0.11 | mm Hg | 25 | EXP |
| Henry's Law Constant | 3.37E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 7.82E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.