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Substance Name: Sulfone, bis(2-chloroethyl)
RN: 471-03-4
InChIKey: LUYAMNYBNTVQJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H8-Cl2-O2-S

Molecular Weight

  • 191.077
 
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Names and Synonyms

Synonyms

  • 3-01-00-01388 (Beilstein Handbook Reference)
  • AI3-16181
  • Bis(2-chloroethyl) sulfone
  • Bis(2-chloroethyl)sulfone
  • Bis(beta-chloroethyl) sulfone
  • Bis(beta-chloroethyl)sulfone
  • BRN 1759251
  • H sulfone
  • Mustard gas sulfone
  • Mustard sulfone
  • NSC 26284
  • Yperite sulfone

Systematic Names

  • Ethane, 1,1'-sulfonylbis(2-chloro-
  • Sulfone, bis(2-chloroethyl)

Registry Numbers

CAS Registry Number

  • 471-03-4

System Generated Number

  • 0000471034

Structure Descriptors

InChI

1S/C4H8Cl2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2

InChIKey

LUYAMNYBNTVQJG-UHFFFAOYSA-N

Smiles

S(CCCl)(CCCl)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 1430mg/m3/10M (1430mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. JAN1942,
mouse LC inhalation > 1gm/m3/10M (1000mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. Jan, 1942.
mouse LD50 intravenous 50mg/kg (50mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
mouse LD50 subcutaneous 35mg/kg (35mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
rabbit LCLo inhalation 1430mg/m3/10M (1430mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. JAN1942,
rat LD50 intravenous > 72mg/kg (72mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
rat LD50 subcutaneous 50mg/kg (50mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
rat LDLo unreported 80mg/kg (80mg/kg)   Gann. Japanese Journal of Cancer Research. Vol. 43, Pg. 171, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.380 (none)   EST
Water Solubility 6000 mg/L 20 EXP
Vapor Pressure 2.05E-03 mm Hg 25 EST
Henry's Law Constant 1.36E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.12E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.