Back to Search
Molecule
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
Identifiers
CAS Registry Number
1071-76-7
SMILES
CCCCO.[Zr]
InChI Key
SKFIUGUKJUULEM-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Zr/c1-2-3-4-5;/h5H,2-4H2,1H3;
Names and Synonyms
- Zirconium Tetrabutoxide Synonym
- 1-Butanol, zirconium(4+) salt (4:1) Synonym
- Butyl alcohol, zirconium(4+) salt Synonym
- Zirconium butoxide Synonym
- 1-Butanol, zirconium(4+) salt Synonym
- Tetrabutoxyzirconium Synonym
- Tetrabutyl zirconate Synonym
- Zirconium tetrabutoxide Synonym
- Butyl zirconate Synonym
- Zirconic acid tetrabutyl ester Synonym
- Zirconium butylate Synonym
- ZA 60 Synonym
- Zirconium butoxide (Zr(OBu)4) Synonym
- TBZr Synonym
- Orgatix ZA 60 Synonym
- Tetrakis(butoxy)zirconium Synonym
- Zirconium tetra(n-butoxide) Synonym
- TBZ (coupling agent) Synonym
- TBZ Synonym
- Zirconium(IV) butoxide Synonym
- Hokuko HZ-OB Synonym
- Zirconium tetrakis(butoxide) Synonym
- AKZ 945 Synonym
- Orgatix A 60 Synonym
- Zirconium tetrakis(1-butoxide) Synonym
- Tetra-n-butyl zirconate Synonym
- Zirconium(4+) butoxide Synonym
- Tyzor NBZ Synonym
- Orgatix ZA 65 Synonym
- Zirconium tetrabutanolate Synonym
- ZA 65 Synonym
- Zirconium tetra-n-butylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.35 g/mol | CAS Common Chemistry |
| 165.34699999999998 g/mol | RDKit | |
| 165.347 g/mol | RDKit | |
| 169.379 g/mol | chempirical lib | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.070 g/cm3 | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 163.97786933999998 g/mol | RDKit |
| Boiling Point | 260 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 165.35 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
