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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
 

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

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/h1-4H2

InChIKey

QKSKPIVNLNLAAV-UHFFFAOYSA-N

Smiles

S(CCCl)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) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: ATAXIA

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: ATAXIA

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
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) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE
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

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: NAUSEA OR VOMITING
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

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: NAUSEA OR VOMITING
National Technical Information Service. Vol. PB158-507,
rabbit LD50 subcutaneous 20mg/kg (20mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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: ATAXIA

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
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.

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.