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Substance Name: 1,2,3,4,7,8-Hexachlorodibenzodioxin
RN: 39227-28-6
UNII: 5R0UY33JFS
InChIKey: WCYYQNSQJHPVMG-UHFFFAOYSA-N

Molecular Formula

  • C12-H2-Cl6-O2

Molecular Weight

  • 390.8638
 

Classification Codes

Classification Code

  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 1,2,3,4,7,8-Hexachlorodibenzodioxin

Synonyms

  • 1,2,3,4,7,8-Hexachlorodibenzo(b,e)(1,4)dioxin
  • 1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin
  • D 66
  • Hexachlorodibenzo-p-dioxin
  • UNII-5R0UY33JFS

Systematic Names

  • Dibenzo(b,e)(1,4)dioxin, 1,2,3,4,7,8-hexachloro-
  • Dibenzo-p-dioxin, 1,2,3,4,7,8-hexachloro-

Superlist Names

  • 1,2,3,4,7,8-Hexachlorodibenzo(b,e)(1,4)dioxin
  • 1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin [Dioxin and dioxin-like compounds]

Registry Numbers

CAS Registry Number

  • 39227-28-6

FDA UNII

  • 5R0UY33JFS

System Generated Number

  • 0039227286

Structure Descriptors

InChI

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

InChIKey

WCYYQNSQJHPVMG-UHFFFAOYSA-N

Smiles

Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2cc1Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 72500ng/kg (0.0725mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 335, 1978.
mouse LD50 oral 825ug/kg (0.825mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 335, 1978.
rat LD50 oral 887ug/kg (0.887mg/kg)   Archives of Toxicology. Vol. 66, Pg. 471, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 273 deg C   EXP
log P (octanol-water) 7.8 (none)   EXP
Water Solubility 4.40E-06 mg/L 20 EXP
Henry's Law Constant 3.95E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.09E-13 cm3/molecule-sec 25 EST

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