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Substance Name: 1,2,4,6,7,9-Hexachlorodibenzo-p-dioxin
RN: 39227-62-8
UNII: IS455BPQ7L
InChIKey: BSJDQMWAWFTDGD-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C12-H2-Cl6-O2

Molecular Weight

  • 390.864
 
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Names and Synonyms

Name of Substance

  • 1,2,4,6,7,9-Hexachlorodibenzo-p-dioxin

Synonyms

  • 1,2,4,6,7,9-Hexachlorodibenzo-p-dioxin
  • 1,2,4,6,7,9-Hexachlorodibenzo-para-dioxin
  • 1,2,4,6,7,9-Hexachlorodibenzodioxin
  • BRN 5125473
  • Dibenzo(b,e)(1,4)dioxin, 1,2,4,6,7,9-hexachloro-
  • UNII-IS455BPQ7L

Systematic Names

  • Dibenzo(b,e)(1,4)dioxin, 1,2,4,6,7,9-hexachloro-
  • Dibenzo-p-dioxin, 1,2,4,6,7,9-hexachloro-

Registry Numbers

CAS Registry Number

  • 39227-62-8

FDA UNII

  • IS455BPQ7L

System Generated Number

  • 0039227628

Structure Descriptors

InChI

1S/C12H2Cl6O2/c13-3-1-5(15)9-11(7(3)17)20-10-6(16)2-4(14)8(18)12(10)19-9/h1-2H

InChIKey

BSJDQMWAWFTDGD-UHFFFAOYSA-N

Smiles

c12c(Oc3c(cc(c(c3O1)Cl)Cl)Cl)c(c(Cl)cc2Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 238 deg C   EXP
log P (octanol-water) 8.210 (none)   EST
Water Solubility 2.65E-05 mg/L 25 EST
Henry's Law Constant 1.94E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.14E-13 cm3/molecule-sec 25 EST

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