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Zirconium Tetrabutoxide
CAS: 1071-76-7 | C4H10OZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1071-76-7
Molecular Formula:
C4H10OZr
Molecular Mass:
165.35 g/mol
Names and Synonyms:
Zirconium Tetrabutoxide
1-Butanol, zirconium(4+) salt (4:1)
Butyl alcohol, zirconium(4+) salt
Zirconium butoxide
1-Butanol, zirconium(4+) salt
Tetrabutoxyzirconium
Tetrabutyl zirconate
Zirconium tetrabutoxide
Butyl zirconate
Zirconic acid tetrabutyl ester
Zirconium butylate
ZA 60
Zirconium butoxide (Zr(OBu)4)
TBZr
Orgatix ZA 60
Tetrakis(butoxy)zirconium
Zirconium tetra(n-butoxide)
TBZ (coupling agent)
TBZ
Zirconium(IV) butoxide
Hokuko HZ-OB
Zirconium tetrakis(butoxide)
AKZ 945
Orgatix A 60
Zirconium tetrakis(1-butoxide)
Tetra-n-butyl zirconate
Zirconium(4+) butoxide
Tyzor NBZ
Orgatix ZA 65
Zirconium tetrabutanolate
ZA 65
Zirconium tetra-n-butylate
Identifiers:
SMILES:
CCCCO.[Zr]
InChI:
InChI=1S/C4H10O.Zr/c1-2-3-4-5;/h5H,2-4H2,1H3;
Key Properties
Boiling Point
260 °C @ Press: 0.1 Torr
CAS Common Chemistry
Density
1.07 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.35 g/mol | CAS Common Chemistry |
| 165.34699999999998 g/mol | RDKit | |
| 163.97786933999998 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.070 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 260 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | [Zr].OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Zr/c1-2-3-4-5;/h5H,2-4H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=SKFIUGUKJUULEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zirconium tetrabutoxide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.7763 | RDKit |
| Molar Refractivity | 21.993799999999997 | RDKit |
