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Substance Name: Octachlorodibenzo-p-dioxin
RN: 3268-87-9
UNII: YW59P10266
InChIKey: FOIBFBMSLDGNHL-UHFFFAOYSA-N

Molecular Formula

  • C12-Cl8-O2

Molecular Weight

  • 459.754
 

Classification Codes

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Octachlorodibenzo-4-dioxin
  • Octachlorodibenzo-p-dioxin

Synonyms

  • 1,2,3,4,6,7,8,9-Octachlorodibenzo(1,4)dioxin
  • 1,2,3,4,6,7,8,9-Octachlorodibenzo(b,e)(1,4)dioxin
  • 1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin
  • 1,2,3,4,6,7,8,9-Octachlorodibenzodioxin
  • 1,2,3,4,6,7,8,9-Octachorodibenzo-p-dioxin
  • 5-19-02-00042 (Beilstein Handbook Reference)
  • BRN 0356027
  • CCRIS 4687
  • Dibenzo-p-dioxin, 1,2,3,4,6,7,8,9-octachloro-
  • HSDB 6480
  • NCI-C03678
  • NSC 37651
  • OCDD
  • Octa polychlorinated dibenzo-p-dioxin
  • Octachloro-para-dibenzodioxin
  • Octachlorodibenzo(b,e)(1,4)dioxin
  • Octachlorodibenzo-p-dioxin
  • Octachlorodibenzodioxin
  • UNII-YW59P10266

Systematic Names

  • Dibenzo(b,e)(1,4)dioxin, octachloro-
  • Dibenzo(b,e)(1,4)dioxin, octachloro- (9CI)
  • Dibenzo-p-dioxin, 1,2,3,4,6,7,8,9-octachloro-
  • Dibenzo-p-dioxin, octachloro- (8CI)
  • Octachlorodibenzodioxin

Superlist Names

  • 1,2,3,4,6,7,8,9-dibenzo-p-dioxin
  • 1,2,3,4,6,7,8,9-dibenzo-p-dioxin [Dioxin and dioxin-like compounds]
  • Octachlorodibenzo(b,e)(1,4)dioxin

Registry Numbers

CAS Registry Number

  • 3268-87-9

FDA UNII

  • YW59P10266

System Generated Number

  • 0003268879

Structure Descriptors

InChI

1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10

InChIKey

FOIBFBMSLDGNHL-UHFFFAOYSA-N

Smiles

c12c(c(c(Cl)c(c1Cl)Cl)Cl)Oc1c(c(Cl)c(c(c1O2)Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1mg/kg (1mg/kg)   Experientia. Vol. 38, Pg. 879, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 330 deg C   EXP
Boiling Point 510 deg C   EXP
log P (octanol-water) 8.2 (none)   EXP
Water Solubility 4.00E-07 mg/L 20 EXP
Vapor Pressure 8.25E-13 mm Hg 25 EXP
Henry's Law Constant 6.74E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.60E-12 cm3/molecule-sec 25 EST

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