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Zirconocene dichloride

Properties, data and information sources.

 

Contents

Zirconocene dichloride is a chemical substance from the group of organozirconium compounds.

 

Names and Identifiers

Name
Zirconocene dichloride
Formula
C10H10Cl2Zr
Molar mass
292.312 (g/mol)
CAS registry number
1291-32-3
EC number EINECS
215-066-8
InChI Key
QRUYYSPCOGSZGQ-UHFFFAOYSA-L

Systematic name
Cyclopenta-1,3-diene;zirconium(4+) dichloride

Other names, synonyms
Bis(3-cyclopentadienyl)dichlorozirconium; Bis(cyclopentadienyl)zirconium dichloride; Dichlorobis(η(5)-2,4-cyclopentadien-1-yl)zirconium; Dichlorodi-pi-dicyclopentadienylzirconium; Dichlorozirconocene

 

Chemical formulas

Molecular formula and structural formula of Zirconocene dichloride:

 

C10H10Cl2Zr

Mr = 292.312 g/mol

Cyclopenta-1,3-diene;zirconium(4+) dichloride
SMILES: C1=C[CH]C=C1.C1=C[CH]C=C1.Cl[Zr]Cl

 

Data and Properties

Zirconocene dichloride exists as a white, diamagnetic, crystalline solid.

solubility:
+ Soluble in organic solvents.
- Hydrolysis in water.
density
1.785 g cm-3 at 20 °C

 

Spectroscopic data:

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
Fa20f4BO1Bl

Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Zirconocene dichloride - C10H10Cl2Zr - calculated based on molecular mass.

Symbol
Element ENumber x
of atoms ExData of the element
and isotopes *Percentages
of isotopesPercentage of
Ex in formula massC
Carbon10 Ar = 12.011 u
ΣAr = 120.11 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %] 
12C: 40.65411 %
14C: trace
13C: 0.43555 %
41.0897 %H
Hydrogen10 Ar = 1.008 u
ΣAr = 10.08 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %] 
3H: trace
1H: 3.44803 %
2H: 0.00034 %
3.4484 %Cl
Chlorine2 Ar = 35.45 u
ΣAr = 70.9 u
35Cl: 34.96885 u [75,80 %]
36Cl: 35.96831 u [<< 1 %]
37Cl: 36.9659 u [24,2 %] 
35Cl: 18.38522 %
36Cl: trace
37Cl: 5.86969 %
24.2549 %Zr
Zirconium1ΣAr = 91.222 u
90Zr: 89.9047 u [51,45 %]
92Zr: 91.90503 u [17,15 %]
94Zr: 93.90631 u [17,38 %]
96Zr: 95.90827 u [2,80 %]
91Zr: 90.90564 u [11,22 %] 
90Zr: 16.05604 %
92Zr: 5.35201 %
94Zr: 5.42379 %
96Zr: 0.8738 %
91Zr: 3.50143 %
31.2071 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 292.312 grams per mole.

The amount of substance in one kilogram of the substance is n = 3.421 mol.

The amount of substance in one gram of the substance is n = 0.003 mol.

Monoisotopic mass: 289.920655722 Da - related to 12C101H1035Cl290Zr.

 

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Warning

GHS hazard statements (H phrases):


H315
Causes skin irritation

H319
Causes serious eye irritation

H335
May cause respiratory irritation

Labeling in the EU: See ECHA Substance Infocard 100.013.697.

 

External Sources

PubChem:ID 10891641ChemSpider:ID 92230UNII of the FDA (USA):Unique Ingredient Identifier SQE0U3LG60EPA CompTox Chemicals Dashboard:DTXSID7026318

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Zirconocene dichloride as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Zirconocene_dichloride.

 

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Last update: 2026-01-26

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