Product Name

  • Name

    1,2,3,4,7-Pentachlorodibenzo-P-Dioxin

  • EINECS
  • CAS No. 39227-61-7
  • Article Data3
  • CAS DataBase
  • Density 1.714g/cm3
  • Solubility 0.165ug/L(26.0 oC)
  • Melting Point 206°C (estimate)
  • Formula C12H3 Cl5 O2
  • Boiling Point 444.1°Cat760mmHg
  • Molecular Weight 356.42
  • Flash Point 171.8°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen. When heated to decomposition it emits toxic vapors of Cl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 39227-61-7 (1,2,3,4,7-Pentachlorodibenzo-P-Dioxin)
  • Hazard Symbols
  • Synonyms 1,2,3,4,7-PeCDD;1,2,3,4,7-Pentachlorodibenzo-p-dioxin; 1,2,3,4,7-Pentachlorodibenzodioxin; PCDD50
  • PSA 18.46000
  • LogP 6.85160

1,2,3,4,7-Pentachlorodibenzo-P-Dioxin Chemical Properties

Chemistry informtion about 1,2,3,4,7-Pentachlorodibenzo-P-Dioxin(39227-61-7) is:
IUPAC Name: 1,2,3,4,7-pentachlorooxanthrene
Synonyms: 1,2,3,4,7-pentachlorodibenzodioxin ; 1,2,3,4,7-pentachlorodibenzo-para-dioxin ; 1,2,3,4,7-pentachloro-dibenzo-p-dioxi ; Dibenzo-p-dioxin, 1,2,3,4,7-pentachloro- ; 1,2,3,4,7-PNCDD
Molecular Weight: 356.41602 [g/mol]
Molecular Formula: C12H3Cl5O2
XLogP3: 7.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Density: 1.714 g/cm3
Flash Point: 171.8 °C
Enthalpy of Vaporization: 67.48 kJ/mol
Boiling Point: 444.1 °C at 760 mmHg
Vapour Pressure: 1.15E-07 mmHg at 25°C
Following is the molecular structure of 1,2,3,4,7-Pentachlorodibenzo-P-Dioxin(39227-61-7) is:

1,2,3,4,7-Pentachlorodibenzo-P-Dioxin Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 15 ,1977,p. 41.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Adequate Data IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 15 ,1977,p. 41.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

1,2,3,4,7-Pentachlorodibenzo-P-Dioxin Safety Profile

Questionable carcinogen. When heated to decomposition it emits toxic vapors of Cl.  
RIDADR: 2811
HazardClass: 6.1(a)
PackingGroup: I

1,2,3,4,7-Pentachlorodibenzo-P-Dioxin Specification

Descriptors computed from structure about 1,2,3,4,7-Pentachlorodibenzo-P-Dioxin(39227-61-7) are:
Canonical SMILES: C1=CC2=C(C=C1Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI: InChI=1S/C12H3Cl5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)
18-5/h1-3H
InChIKey: WRNGAZFESPEMCN-UHFFFAOYSA-N

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