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Substance Name: 1,2-Bis(2-chloroethylsulfonyl)ethane
RN: 3944-87-4
UNII: 81J0R06560
InChIKey: FQMRVYDYXSOKHL-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-Cl2-O4-S2

Molecular Weight

  • 283.195
 
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Names and Synonyms

Name of Substance

  • 1,2-Bis(2-chloroethylsulfonyl)ethane

Synonyms

  • 1,2-Bis((2-chloroethyl)sulfonyl)ethane
  • 1,2-Bis(2-chloroethylsulfonyl)ethane
  • 4-01-00-02453 (Beilstein Handbook Reference)
  • AI3-17985
  • BRN 1793331
  • Ethane, 1,2-bis((2-chloroethyl)sulfonyl)-
  • HSDB 2540
  • NSC 78780
  • UNII-81J0R06560

Systematic Name

  • Ethane, 1,2-bis((2-chloroethyl)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 3944-87-4

FDA UNII

  • 81J0R06560

System Generated Number

  • 0003944874

Structure Descriptors

InChI

1S/C6H12Cl2O4S2/c7-1-3-13(9,10)5-6-14(11,12)4-2-8/h1-6H2

InChIKey

FQMRVYDYXSOKHL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 125mg/kg (125mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 60, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.770 (none)   EST
Water Solubility 1.01E+04 mg/L 30 EXP
Atmospheric OH Rate Constant 2.40E-11 cm3/molecule-sec 25 EST

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