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Substance Name: 1,2,3,7,8-Pentachlorodibenzo-p-dioxin
RN: 40321-76-4
UNII: 2NE6H0QPCH
InChIKey: FSPZPQQWDODWAU-UHFFFAOYSA-N

Molecular Formula

  • C12-H3-Cl5-O2

Molecular Weight

  • 356.4187
 

Classification Codes

Classification Code

  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 1,2,3,7,8-Pentachlorodibenzo-p-dioxin

Synonyms

  • 1,2,3,7,8-Penta polychlorinated dibenzo-p-dioxin
  • 1,2,3,7,8-Pentachlorodibenzo-p-dioxin
  • 1,2,3,7,8-Pentachlorodibenzo-p-dioxin [Dioxin and dioxin-like compounds]
  • 1,2,3,7,8-Pentachlorodibenzodioxin
  • 5-19-02-00042 (Beilstein Handbook Reference)
  • BRN 1626844
  • UNII-2NE6H0QPCH

Systematic Names

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

Superlist Name

  • 1,2,3,7,8-Pentachlorodibenzo(b,e)(1,4)dioxin

Registry Numbers

CAS Registry Number

  • 40321-76-4

FDA UNII

  • 2NE6H0QPCH

System Generated Number

  • 0040321764

Structure Descriptors

InChI

1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H

InChIKey

FSPZPQQWDODWAU-UHFFFAOYSA-N

Smiles

c1c2c(cc(c1Cl)Cl)Oc3c(cc(c(c3Cl)Cl)Cl)O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3100ng/kg (0.0031mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 335, 1978.
mouse LD50 oral 337500ng/kg (0.3375mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 335, 1978.
rat LD50 oral 206ug/kg (0.206mg/kg)   Archives of Toxicology. Vol. 66, Pg. 471, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 240 deg C   EXP
log P (octanol-water) 6.64 (none)   EXP
Water Solubility 1.53E-04 mg/L 25 EST
Henry's Law Constant 2.61E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.88E-13 cm3/molecule-sec 25 EST

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