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Substance Name: 1,2,4-Trichlorodibenzo-1,4-dioxin
RN: 39227-58-2
UNII: N788AO107G
InChIKey: HRVUKLBFRPWXPJ-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C12-H5-Cl3-O2

Molecular Weight

  • 287.529
 
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Names and Synonyms

Name of Substance

  • 1,2,4-Trichlorodibenzo-1,4-dioxin

Synonyms

  • 1,2,4-Trichlorodibenzo-p-dioxin
  • 1,2,4-Trichlorodibenzo-para-dioxin
  • 1,2,4-Trichlorodibenzodioxin
  • Dibenzo(b,e)(1,4)dioxin, 1,2,4-trichloro-
  • UNII-N788AO107G

Systematic Name

  • Dibenzo-p-dioxin, 1,2,4-trichloro-

Registry Numbers

CAS Registry Number

  • 39227-58-2

FDA UNII

  • N788AO107G

System Generated Number

  • 0039227582

Structure Descriptors

InChI

1S/C12H5Cl3O2/c13-6-5-7(14)11-12(10(6)15)17-9-4-2-1-3-8(9)16-11/h1-5H

InChIKey

HRVUKLBFRPWXPJ-UHFFFAOYSA-N

Smiles

c12c(Oc3ccccc3O1)c(cc(c2Cl)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 128 deg C   EXP
log P (octanol-water) 6.35 (none)   EXP
Water Solubility 0.00841 mg/L 25 EXP
Vapor Pressure 7.50E-07 mm Hg 25 EXP
Henry's Law Constant 3.59E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.80E-12 cm3/molecule-sec 25 EST

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