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Zirconium(IV) tert-butoxide

Catalog Number
ACM2081121
Product Name
Zirconium(IV) tert-butoxide
Structure
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CAS
2081-12-1
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Synonyms
Tetrakis(tert-butanolato)zirconium
IUPAC Name
2-Methylpropan-2-ol;zirconium
Molecular Weight
387.71
Molecular Formula
C16H40O4Zr
Canonical SMILES
CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]
InChI
InChI=1S/4C4H10O.Zr/c4*1-4(2,3)5;/h4*5H,1-3H3;
InChI Key
WRMYASGYMABHCC-UHFFFAOYSA-N
Melting Point
3 °C
Flash Point
185 °F
Purity
95%+
Density
0.985 g/mL at 25 °C (lit.)
Appearance
Slightly yellow liquid
Storage
2-8 °C
Complexity
154
Covalently-Bonded Unit Count
5
Exact Mass
386.197359
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
4
Heavy Atom Count
21
MDL Number
MFCD00075085
Monoisotopic Mass
386.197359
Rotatable Bond Count
0
Topological Polar Surface Area
80.9 Ų
Application
Zirconium(IV) tert-butoxide, a clear colorless to yellow fuming liquid, primarily serves as a valuable precursor for various applications. It is utilized in synthesizing chiral N-tert-butanesulfinyl trifluoromethyl ketimines, showcasing its role in the preparation of complex organic compounds. Additionally, it is instrumental in producing zirconia coatings on stainless steel substrates, particularly for optical applications, through the sol-gel method.
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