1,2,3,4,7-Pentachlorodibenzo-p-dioxin

CAS Registry Number®

39227-61-7
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CAS Name

1,2,3,4,7-Pentachlorodibenzo-p-dioxin

Molecular Formula

C12H3Cl5O2

Molecular Mass

356.42

Cite this Page

1,2,3,4,7-Pentachlorodibenzo-p-dioxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39227-61-7 (retrieved 2024-05-19) (CAS RN: 39227-61-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

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

InChIKey=WRNGAZFESPEMCN-UHFFFAOYSA-N

SMILES

ClC1=C2C(OC=3C(O2)=CC(Cl)=CC3)=C(Cl)C(Cl)=C1Cl

Canonical SMILES

ClC1=CC=C2OC=3C(Cl)=C(Cl)C(Cl)=C(Cl)C3OC2=C1

Other Names for this Substance

  • Dibenzo[b,e][1,4]dioxin, 1,2,3,4,7-pentachloro-
  • 1,2,3,4,7-Pentachlorodibenzo[b,e][1,4]dioxin
  • 1,2,3,4,7-Pentachlorodibenzo-p-dioxin
  • 1,2,3,4,7-Pentachlorodibenzodioxin
  • PCDD 50

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