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Substance Name: Iothion
RN: 534-08-7
UNII: 1Z11279H67
InChIKey: DNKPFCQEGBJJTE-UHFFFAOYSA-N

Note

  • Potential bacterial dental plaque control agent.

Molecular Formula

  • C3-H6-I2-O

Molecular Weight

  • 311.879
 
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Names and Synonyms

Name of Substance

  • 1,3-Diiodo-2-propanol
  • Iothion

Synonyms

  • 1,3-Diiod-2-propanol
  • 1,3-Diiod-2-propanol [IUPAC]
  • 1,3-Diiodo-2-propanol
  • 1,3-Diiodoisopropyl alcohol
  • 3-01-00-01476 (Beilstein Handbook Reference)
  • Agojodo
  • AI3-61824
  • BRN 1732080
  • Diiodhydrin
  • Dijodan
  • EINECS 208-586-1
  • Glycerol-alpha,gamma-diiodohydrin
  • Iopropane
  • Iothion
  • Jothion
  • UNII-1Z11279H67

Systematic Names

  • 1,3-Diiodopropan-2-ol
  • 2-Propanol, 1,3-diiodo-

Registry Numbers

CAS Registry Number

  • 534-08-7

FDA UNII

  • 1Z11279H67

System Generated Number

  • 0000534087

Structure Descriptors

InChI

1S/C3H6I2O/c4-1-3(6)2-5/h3,6H,1-2H2

InChIKey

DNKPFCQEGBJJTE-UHFFFAOYSA-N

Smiles

ICC(O)CI

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 325mg/kg (325mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Josai Shika Daiguku Kiyo. Bulletin of the Josai Dental University. Vol. 6, Pg. 151, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.790 (none)   EST
Water Solubility 1.25E+04 mg/L   EXP
Atmospheric OH Rate Constant 2.79E-12 cm3/molecule-sec 25 EST

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