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Zirconium N-Propoxide
CAS: 23519-77-9 | C3H8OZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23519-77-9
Molecular Formula:
C3H8OZr
Molecular Mass:
151.32 g/mol
Names and Synonyms:
Zirconium N-Propoxide
1-Propanol, zirconium(4+) salt (4:1)
Tetrapropyl zirconate
Propyl alcohol, zirconium(4+) salt
1-Propanol, zirconium(4+) salt
Zirconium propoxide
Zirconium tetrapropoxide
Tetrapropoxyzirconium
Zirconium tetrapropylate
Propyl zirconate
Zirconic acid propyl ester
Tetrapropyl zirconate (Zr(OC3H7)4)
Zirconium n-propoxide
Zirconium(4+) propoxide
Zirconium(4+) propanolate
Zirconium(IV) n-propoxide
Tilcom NPZ
Orgatix ZA 40
Zirconium tetrakis(1-propoxide)
Zirconium(IV) propoxide
Tetra-n-propyl zirconate
Tetra-n-propoxyzirconium
Vertec NPZ
Zirconium tetrapropanolate
Tyzor NPZ
Zirconium propoxide (Zr(OPr)4)
Z 0017
Orgatix ZA 45
Zr 801
DN 801
ZA 45
1-Propyl zirconate
KBR 33
Identifiers:
SMILES:
CCCO.[Zr]
InChI:
InChI=1S/C3H8O.Zr/c1-2-3-4;/h4H,2-3H2,1H3;
Key Properties
Boiling Point
208 °C @ Press: 0.1 Torr
CAS Common Chemistry
Density
1.05 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 | 151.32 g/mol | CAS Common Chemistry |
| 149.96221927599998 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.050 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 208 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | [Zr].OCCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O.Zr/c1-2-3-4;/h4H,2-3H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=RQIHICWHMWNVSA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zirconium n-propoxide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.38620000000000004 | RDKit |
| Molar Refractivity | 17.376800000000003 | RDKit |
