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Bis(cyclopentadienyl)zirconium(IV) dihydride

Catalog Number
ACM37342986-3
CAS Number
37342-98-6
Product Name
Bis(cyclopentadienyl)zirconium(IV) dihydride
Structure
Category
Vapor Deposition Precursors
Synonyms
Zirconcene dihydride
IUPAC Name
cyclopenta-1,3-diene;hydride;zirconium(4+);
Molecular Weight
223.43
Molecular Formula
C10H12Zr;
Canonical SMILES
[H][Zr][H].[CH]1[CH][CH][CH][CH]1.[CH]2[CH][CH][CH][CH]2
InChI
1S/2C5H5.Zr.2H/c2*1-2-4-5-3-1;;;/h2*1-5H;;;,VQFBYDXAIAGBFA-UHFFFAOYSA-N
InChI Key
VQFBYDXAIAGBFA-UHFFFAOYSA-N
Application
Bis(cyclopentadienyl)zirconium(IV) dihydride serves as a versatile catalyst across various chemical reactions. Its primary purpose is to facilitate the hydrogenation of alkenes and alkynes when used in conjunction with hydrogen. Additionally, it is employed in the Meerwein-Ponndorf-Verley and Oppenauer reactions to respectively reduce or oxidize compounds. The product also acts as a catalyst in crossed-aldol condensation and the Tishchenko reaction. Furthermore, it functions as a reducing agent for organohalogen compounds. Despite its effectiveness, the material is sensitive to air exposure, where it discolors, and it typically appears as a white powder. Central to its performance as a reagent is its core component, zirconium, which enhances its catalytic properties.
Storage
Flammables + water-Freezer (-20°C)e area
Assay
0.95
Complexity
163
Covalently-Bonded Unit Count
5
Exact Mass
221.999g/mol
Form
powder
Heavy Atom Count
11
MDL Number
MFCD04126436
Monoisotopic Mass
221.999g/mol
Packaging
1 g in ampule
Topological Polar Surface Area
0A^2
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