Bis(pentamethylcyclopentadienyl)zirconium dichloride

CAS Registry Number®

54039-38-2

CAS Name

Bis(pentamethylcyclopentadienyl)zirconium dichloride

Molecular Formula

C20H30Cl2Zr

Cite this Page

Bis(pentamethylcyclopentadienyl)zirconium dichloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54039-38-2 (retrieved 2025-01-28) (CAS RN: 54039-38-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

  • (1) Metal-Organics Catalog physical property data were obtained from Gelest, Inc. of Morrisville, Pennsylvania (US)

Other Names and Identifiers

InChI

InChI=1S/2C10H15.2ClH.Zr/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2

InChIKey

InChIKey=UJYDWRDELGVHLP-UHFFFAOYSA-L

SMILES

[Cl-][Zr+4]12345678([Cl-])(C=9(C)C1(C)=C2(C)[C-]3(C)C49C)[C-]%10(C)C5(C)=C6(C)C7(C)=C8%10C

Canonical SMILES

[Cl-][Zr+4]12345678([Cl-])(C=9(C)C4(C)=C3(C)[C-]2(C)C91C)C=%10(C)C8(C)=C7(C)[C-]6(C)C%105C

Other Names for this Substance

  • Zirconium, dichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-
  • Dichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]zirconium
  • Bis(pentamethylcyclopentadienyl)zirconium dichloride
  • Dichlorobis(η5-pentamethylcyclopentadienyl)zirconium
  • Decamethylzirconocene dichloride

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Deleted or Replaced CAS Registry Numbers

503440-16-2