Zirconium(IV) tert-butoxide

Catalog Number	ACM2081121-1
CAS	2081-12-1
Structure
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
Application	Zirconium tert-butoxide (ZTB) precursor is used to deposit thin films of Zirconia and other zirconium containing films by atomic layer deposition and chemical vapor deposition methods. Zirconium oxide thin films can also be grown at low temperatures, ranging from 150°C to 300°C, by the presence of moisture along with ZTB or by UV-enhanced atomic layer deposition (UV-ALD) process.
Storage	2-8 °C
Complexity	154
Covalently-Bonded Unit Count	5
Exact Mass	386.197359
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
MDL Number	MFCD00075085
Monoisotopic Mass	386.197359
Rotatable Bond Count	0
Topological Polar Surface Area	80.9 Ų

Q&A

What is the molecular formula of Zirconium(IV) tert-butoxide?

The molecular formula of Zirconium(IV) tert-butoxide is C16H40O4Zr.

What is the molecular weight of Zirconium(IV) tert-butoxide?

The molecular weight of Zirconium(IV) tert-butoxide is 387.71 g/mol.

What is the IUPAC name of Zirconium(IV) tert-butoxide?

The IUPAC name of Zirconium(IV) tert-butoxide is 2-methylpropan-2-ol;zirconium.

What is the InChI of Zirconium(IV) tert-butoxide?

The InChI of Zirconium(IV) tert-butoxide is InChI=1S/4C4H10O.Zr/c4*1-4(2,3)5;/h4*5H,1-3H3.

What is the InChIKey of Zirconium(IV) tert-butoxide?

The InChIKey of Zirconium(IV) tert-butoxide is WRMYASGYMABHCC-UHFFFAOYSA-N.

What is the canonical SMILES of Zirconium(IV) tert-butoxide?

The canonical SMILES of Zirconium(IV) tert-butoxide is CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr].

What is the CAS number of Zirconium(IV) tert-butoxide?

The CAS number of Zirconium(IV) tert-butoxide is 2081-12-1.

What is the European Community (EC) number of Zirconium(IV) tert-butoxide?

The European Community (EC) number of Zirconium(IV) tert-butoxide is 629-227-9.

What is the hydrogen bond donor count of Zirconium(IV) tert-butoxide?

The hydrogen bond donor count of Zirconium(IV) tert-butoxide is 4.

What is the hydrogen bond acceptor count of Zirconium(IV) tert-butoxide?

The hydrogen bond acceptor count of Zirconium(IV) tert-butoxide is 4.