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Zirconium(IV) tert-butoxide

Zirconium(IV) tert-butoxide

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Catalog Number

ACM2081121

Product Name

Structure

CAS

2081-12-1

Product Overview
Usage

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

Exact Mass

386.197359

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

MDL Number

MFCD00075085

Monoisotopic Mass

386.197359

Rotatable Bond Count

Topological Polar Surface Area

80.9 Å²

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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CAS
Size
Purity
Price
Quantity
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2081-12-1
-
95%+
-
- +
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