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Substance Name: Heptachlorodibenzo-p-dioxin
RN: 35822-46-9
UNII: MM6333103R
InChIKey: WCLNVRQZUKYVAI-UHFFFAOYSA-N

Note

  • Contaminant of pentachlorophenol.

Molecular Formula

  • C12-H-Cl7-O2

Molecular Weight

  • 425.309
 

Classification Codes

Classification Code

  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 263
  • 2011 CERCLA Priority List, Rank: 256
  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Results Name

  • Heptachlorodibenzo-p-dioxin

Name of Substance

  • 1,2,3,4,6,7,8-Heptachlorodibenzodioxin

Synonyms

  • 1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin
  • 1,2,3,4,6,7,8-Heptachlorodibenzo-para-dioxin
  • 1,2,3,4,6,7,8-Heptachlorodibenzodioxin
  • 1,2,3,4,6,7,8-Heptapolychlorinated dibenzo-p-dioxin
  • 5-19-02-00042 (Beilstein Handbook Reference)
  • BRN 1630271
  • CCRIS 9023
  • Dibenzo(b,e)(1,4)dioxin, 1,2,3,4,6,7,8-heptachloro-
  • Heptachlorodibenzo-p-dioxin
  • HSDB 6474
  • UNII-MM6333103R

Systematic Names

  • Dibenzo(b,e)(1,4)dioxin, 1,2,3,4,6,7,8-heptachloro-
  • Dibenzo-p-dioxin, 1,2,3,4,6,7,8-heptachloro-

Superlist Names

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

Registry Numbers

CAS Registry Number

  • 35822-46-9

FDA UNII

  • MM6333103R

System Generated Number

  • 0035822469

Structure Descriptors

InChI

1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H

InChIKey

WCLNVRQZUKYVAI-UHFFFAOYSA-N

Smiles

c12c(Oc3cc(Cl)c(c(c3O1)Cl)Cl)c(c(Cl)c(c2Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral > 600ug/kg (0.6mg/kg)   Pergamon Series on Environmental Science. Vol. 5, Pg. 367, 1982.
rat LD50 oral 6325ug/kg (6.325mg/kg)   Archives of Toxicology. Vol. 66, Pg. 471, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 264 deg C   EXP
log P (octanol-water) 8.2 (none)   EXP
Water Solubility 2.40E-06 mg/L 20 EXP
Vapor Pressure 7.50E-10 mm Hg 25 EXP
Henry's Law Constant 1.75E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.39E-13 cm3/molecule-sec 25 EST

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