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Substance Name: 1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin
RN: 57653-85-7
UNII: B94L7A4G3D
InChIKey: YCLUIPQDHHPDJJ-UHFFFAOYSA-N

Note

  • Contaminant of pentachlorophenol.

Molecular Formula

  • C12-H2-Cl6-O2

Molecular Weight

  • 390.8638
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin
  • 1,2,3,6,7,8-Hexachlorodibenzodioxin

Synonyms

  • 1,2,3,6,7,8-Hexa polychlorinated dibenzo-p-dioxin
  • 1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin
  • 1,2,3,6,7,8-Hexachlorodibenzo-para-dioxin
  • 1,2,3,6,7,8-Hexachlorodibenzodioxin
  • 1,2,3,6,7,8-HXCDD
  • 5-19-02-00042 (Beilstein Handbook Reference)
  • BRN 1627652
  • CCRIS 323
  • Dibenzo(b,e)(1,4)dioxin, 1,2,3,6,7,8-hexachloro-
  • Hcdd mixture
  • HSDB 4154
  • NCI-C03703
  • UNII-B94L7A4G3D

Systematic Names

  • 1,2,3,6,7,8-Hcdd/1,2,3,7,8,9-hcdd
  • Dibenzo(b,e)(1,4)dioxin, 1,2,3,6,7,8-hexachloro-
  • Dibenzo-p-dioxin, 1,2,3,6,7,8-hexachloro-

Superlist Names

  • 1,2,3,6,7,8-Hexachlorodibenzo(b,e)(1,4)dioxin
  • 1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin
  • 1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin [Dioxin and dioxin-like compounds]

Registry Numbers

CAS Registry Number

  • 57653-85-7

FDA UNII

  • B94L7A4G3D

System Generated Number

  • 0057653857

Structure Descriptors

InChI

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

InChIKey

YCLUIPQDHHPDJJ-UHFFFAOYSA-N

Smiles

c1c2c(c(c(c1Cl)Cl)Cl)Oc3cc(c(c(c3O2)Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 70ug/kg (0.07mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 335, 1978.
mouse LD50 oral 1250ug/kg (1.25mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 335, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 285 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.