Isobenzan

CAS Registry Number®

297-78-9
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CAS Name

Isobenzan

Molecular Formula

C9H4Cl8O

Molecular Mass

411.75

Cite this Page

Isobenzan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=297-78-9 (retrieved 2024-04-16) (CAS RN: 297-78-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120-122 °C

  • Density (1)

    1.87 g/cm³

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H

InChIKey

InChIKey=LRWHHSXTGZSMSN-UHFFFAOYSA-N

SMILES

ClC12C3C(C(Cl)(C1(Cl)Cl)C(Cl)=C2Cl)C(Cl)OC3Cl

Canonical SMILES

ClC1=C(Cl)C2(Cl)C3C(Cl)OC(Cl)C3C1(Cl)C2(Cl)Cl

Other Names for this Substance

  • 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-
  • 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-
  • 1,3,4,5,6,7,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran
  • SD 4402
  • CP 14,957

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Deleted or Replaced CAS Registry Numbers

3212-31-5, 21152-15-8

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