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Substance Name: 2,4,4'-Trichlorodiphenyl ether
RN: 59039-21-3
UNII: 143JDA791V
InChIKey: PIORTDHJOLELKR-UHFFFAOYSA-N

Molecular Formula

  • C12-H7-Cl3-O

Molecular Weight

  • 273.545
 
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Names and Synonyms

Name of Substance

  • 2,4,4'-Trichlorodiphenyl ether

Synonyms

  • 2,4-Dichloro-1-(4-chlorophenoxy)benzene
  • UNII-143JDA791V

Systematic Name

  • Benzene, 2,4-dichloro-1-(4-chlorophenoxy)-

Registry Numbers

CAS Registry Number

  • 59039-21-3

FDA UNII

  • 143JDA791V

System Generated Number

  • 0059039213

Structure Descriptors

InChI

1S/C12H7Cl3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H

InChIKey

PIORTDHJOLELKR-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1)Cl)Cl)Oc1ccc(cc1)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.53 (none)   EXP
Water Solubility 0.165 mg/L 25 EXP
Vapor Pressure 1.53E-04 mm Hg 25 EXP
Henry's Law Constant 3.34E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.64E-12 cm3/molecule-sec 25 EST

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