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Substance Name: 2,3,4,7,8-Pentachlorodibenzofuran
RN: 57117-31-4
UNII: U4C2RV3124
InChIKey: OGBQILNBLMPPDP-UHFFFAOYSA-N

Molecular Formula

  • C12-H3-Cl5-O

Molecular Weight

  • 340.4197
 

Classification Codes

Classification Codes

  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 168
  • 2011 CERCLA Priority List, Rank: 161
  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 2,3,4,7,8-Pentachlorodibenzofuran

Synonyms

  • 2,3,4,7,8-Pentachlorodibenzofuran
  • 2,3,4,7,8-Pentapolychlorinated dibenzofuran
  • 4-PeCDF
  • CCRIS 3492
  • HSDB 7178
  • UNII-U4C2RV3124

Systematic Names

  • 2,3,4,7,8-Pentachlorodibenzofuran
  • Dibenzofuran, 2,3,4,7,8-pentachloro-

Superlist Names

  • 2,3,4,7,8-Pentachlorodibenzofuran
  • 2,3,4,7,8-Pentachlorodibenzofuran [Dioxin and dioxin-like compounds]

Registry Numbers

CAS Registry Number

  • 57117-31-4

FDA UNII

  • U4C2RV3124

System Generated Number

  • 0057117314

Structure Descriptors

InChI

1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H

InChIKey

OGBQILNBLMPPDP-UHFFFAOYSA-N

Smiles

c1c2c3cc(c(c(c3oc2cc(c1Cl)Cl)Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral 10ug/kg (0.01mg/kg)   Annals of the New York Academy of Sciences. Vol. 320, Pg. 151, 1979.
monkey LDLo intravenous 34ug/kg (0.034mg/kg)   Toxicology and Applied Pharmacology. Vol. 93, Pg. 231, 1988.
monkey LDLo intravenous 34ug/kg (0.034mg/kg) ENDOCRINE: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Toxicology and Applied Pharmacology. Vol. 93, Pg. 231, 1988.
rat LD50 oral 916ug/kg (0.916mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Fundamental and Applied Toxicology. Vol. 11, Pg. 236, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.92 (none)   EXP
Water Solubility 2.35E-04 mg/L 23 EXP
Vapor Pressure 3.46E-07 mm Hg 25 EST
Henry's Law Constant 1.14E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.15E-13 cm3/molecule-sec 25 EST

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