1,2,3,7,8-Pentachlorodibenzo-p-dioxin

CAS Registry Number®

40321-76-4

CAS Name

1,2,3,7,8-Pentachlorodibenzo-p-dioxin

Molecular Formula

C12H3Cl5O2

Molecular Mass

356.42

Cite this Page

1,2,3,7,8-Pentachlorodibenzo-p-dioxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40321-76-4 (retrieved 2024-11-22) (CAS RN: 40321-76-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    240 °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/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H

InChIKey

InChIKey=FSPZPQQWDODWAU-UHFFFAOYSA-N

SMILES

ClC1=C2C(OC=3C(O2)=CC(Cl)=C(Cl)C3)=CC(Cl)=C1Cl

Canonical SMILES

ClC=1C=C2OC3=CC(Cl)=C(Cl)C(Cl)=C3OC2=CC1Cl

Other Names for this Substance

  • Dibenzo[b,e][1,4]dioxin, 1,2,3,7,8-pentachloro-
  • 1,2,3,7,8-Pentachlorodibenzo[b,e][1,4]dioxin
  • 1,2,3,7,8-Pentachlorodibenzo-p-dioxin
  • 1,2,3,7,8-Pentachlorodibenzodioxin
  • 2,3,4,7,8-Pentachlorodibenzo-p-dioxin

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