chempirical

Bis(butylcyclopentadienyl)zirconium dichloride

C18H26Cl2ZrCAS 73364-10-0404.53 g/mol

Open in Covalent MOL file
HC−HC−Cl−Cl−Zr4+

Properties

Molecular formula
C18H26Cl2Zr
Molar mass
404.53 g/mol
Exact mass
402.0459 Da
Melting point
98–99 °C
logP
-0.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
73364-10-0
SMILES
CCCCc1ccc[cH-]1.CCCCc1ccc[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIKey
RSPAIISXQHXRKX-UHFFFAOYSA-L
InChI
InChI=1S/2C9H13.2ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;/h2*4-5,7-8H,2-3,6H2,1H3;2*1H;/q2*-1;;;+4/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Zirconium, bis[(1,2,3,4,5-η)-1-butyl-2,4-cyclopentadien-1-yl]dichloro-
  • Bis(butylcyclopentadienyl)dichlorozirconium
  • Bis(n-butylcyclopentadienyl)zirconium dichloride
  • 1,1′-Dibutylzirconocene dichloride
  • Eurecen 5031
  • Bis(η5-butylcyclopentadienyl)dichlorozirconium
  • Eurocene 5031
  • Dibutylzirconocene dichloride
  • Dichlorobis(n-butylcyclopentadienyl)zirconium
  • Bis(butylcyclopentadienyl) zirconium (IV) dichloride
  • Bis(n-butylcyclopentadienyl)zirconium(IV) dichloride
  • H 27576
  • 1,3-Cyclopentadiene, 1-butyl-, zirconium complex
  • Bis[(1,2,3,4,5-η)-1-butyl-2,4-cyclopentadien-1-yl]dichlorozirconium

Work with Bis(butylcyclopentadienyl)zirconium dichloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butylferrocene31904-29-764 % similar 1,1′-Diethylferrocene1273-97-842 % similar n-Butylbenzene104-51-839 % similar Ethylferrocene1273-89-838 % similar Bis(1-butyl-3-methylcyclopentadienyl)zirconium dichloride151840-68-536 % similar Butyltriphenylphosphonium chloride13371-17-035 % similar Decylbenzene104-72-333 % similar Hexylbenzene1077-16-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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