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Substance Name: 1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin
RN: 19408-74-3
UNII: CV865M3P15
InChIKey: LGIRBUBHIWTVCK-UHFFFAOYSA-N

Molecular Formula

  • C12-H2-Cl6-O2

Molecular Weight

  • 390.8638
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin

Synonyms

  • 1,2,3,7,8,9-Hexachlorodibenzo(b,e)(1,4)dioxin
  • 1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin
  • 5-19-02-00042 (Beilstein Handbook Reference)
  • BRN 1353896
  • D 70
  • HSDB 6866
  • UNII-CV865M3P15

Systematic Name

  • Dibenzo-p-dioxin, 1,2,3,7,8,9-hexachloro-

Superlist Names

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

Registry Numbers

CAS Registry Number

  • 19408-74-3

FDA UNII

  • CV865M3P15

System Generated Number

  • 0019408743

Structure Descriptors

InChI

1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H

InChIKey

LGIRBUBHIWTVCK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 60ug/kg (0.06mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 335, 1978.
mouse LD50 oral > 1440mg/kg (1440mg/kg) BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)"

ENDOCRINE: CHANGES IN SPLEEN WEIGHT

ENDOCRINE: CHANGES IN THYMUS WEIGHT
Toxicology and Applied Pharmacology. Vol. 44, Pg. 335, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 243 deg C   EXP
log P (octanol-water) 8.210 (none)   EST
Water Solubility 2.65E-05 mg/L 25 EST
Henry's Law Constant 1.94E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.14E-13 cm3/molecule-sec 25 EST

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