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Substance Name: 2,3,7,8-Tetrabromodibenzo-4-dioxin
RN: 50585-41-6
UNII: 04PL7F455E
InChIKey: JZLQUWSWOJPCAK-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C12-H4-Br4-O2

Molecular Weight

  • 499.778
 
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Names and Synonyms

Name of Substance

  • 2,3,7,8-Tetrabromodibenzo-4-dioxin

Synonyms

  • 2,3,7,8-Tetrabromodibenzo-4-dioxin
  • 2,3,7,8-Tetrabromodibenzo-p-dioxin
  • 2,3,7,8-Tetrabromodibenzodioxin
  • 4-19-00-00339 (Beilstein Handbook Reference)
  • BRN 0273317
  • CCRIS 7511
  • Dibenzo-p-dioxin, 2,3,7,8-tetrabromo-
  • UNII-04PL7F455E

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 50585-41-6

FDA UNII

  • 04PL7F455E

System Generated Number

  • 0050585416

Structure Descriptors

InChI

InChI=1S/C12H4Br4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

InChIKey

JZLQUWSWOJPCAK-UHFFFAOYSA-N

Smiles

Brc1cc2Oc3cc(Br)c(Br)cc3Oc2cc1Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 100ug/kg (0.1mg/kg)   Chemosphere. Vol. 19, Pg. 759, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 334 deg C   EXP
log P (octanol-water) 7.900 (none)   EST
Water Solubility 9.96E-06 mg/L 25 EST
Henry's Law Constant 2.95E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.62E-13 cm3/molecule-sec 25 EST

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