Decamethylzirconocene dichloride

Decamethylzirconocene dichloride is an organozirconium compound with the formula Cp*₂ZrCl₂ (where Cp* is C₅(CH₃)₅, derived from pentamethylcyclopentadiene). It is a pale yellow, moisture sensitive solid that is soluble in nonpolar organic solvents. The complex has been the subject of extensive research. It is a precursor to many other complexes, including the dinitrogen complex [Cp*₂Zr]₂(N₂)₃).^[1] It is a precatalyst for the polymerization of ethylene and propylene.^[2]

Decamethylzirconocene dichloride

Names
Other names Bis(Pentamethylcyclopentadienyl)zirconium dichloride
Identifiers
CAS Number	54039-38-2
3D model (JSmol)	Interactive image
ChemSpider	17339332
ECHA InfoCard	100.150.124
PubChem CID	5148137
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 Key: UJYDWRDELGVHLP-UHFFFAOYSA-L
SMILES C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.Cl[Zr+2]Cl
Properties
Chemical formula	C20H30Cl2Zr
Molar mass	432.58 g·mol−1
Appearance	pale yellow solid
Density	1.451 g/cm3
Melting point	> 300 °C (572 °F; 573 K)
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H302, H312, H314, H332
Precautionary statements	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Further reading

• Buchwald, S. L.; Nielsen, R. B. (1988). "Group 4 Metal Complexes of Benzynes, Cycloalkynes, Acyclic Alkynes, and Alkenes". Chemical Reviews. 88 (7): 1047–1058. doi:10.1021/cr00089a004.
• Rosenthal, U.; et al. (2000). "What Do Titano- and Zirconocenes Do with Diynes and Polyynes?". Chemical Reviews. 33 (2): 119–129. doi:10.1021/ar9900109. PMID 10673320.