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Molecule
Zirconium N-Propoxide
CAS: 23519-77-9 · C3H8OZr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23519-77-9
- Molecular Formula
- C3H8OZr
- Molecular Mass
- 151.32 g/mol
Identifiers
CAS Registry Number
23519-77-9
SMILES
CCCO.[Zr]
InChI Key
RQIHICWHMWNVSA-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O.Zr/c1-2-3-4;/h4H,2-3H2,1H3;
Names and Synonyms
- Zirconium N-Propoxide Common Name
- 1-Propanol, zirconium(4+) salt (4:1) Synonym
- Tetrapropyl zirconate Synonym
- Propyl alcohol, zirconium(4+) salt Synonym
- 1-Propanol, zirconium(4+) salt Synonym
- Zirconium propoxide Synonym
- Zirconium tetrapropoxide Synonym
- Tetrapropoxyzirconium Synonym
- Zirconium tetrapropylate Synonym
- Propyl zirconate Synonym
- Zirconic acid propyl ester Synonym
- Tetrapropyl zirconate (Zr(OC3H7)4) Synonym
- Zirconium n-propoxide Synonym
- Zirconium(4+) propoxide Synonym
- Zirconium(4+) propanolate Synonym
- Zirconium(IV) n-propoxide Synonym
- Tilcom NPZ Synonym
- Orgatix ZA 40 Synonym
- Zirconium tetrakis(1-propoxide) Synonym
- Zirconium(IV) propoxide Synonym
- Tetra-n-propyl zirconate Synonym
- Tetra-n-propoxyzirconium Synonym
- Vertec NPZ Synonym
- Zirconium tetrapropanolate Synonym
- Tyzor NPZ Synonym
- Zirconium propoxide (Zr(OPr)4) Synonym
- Z 0017 Synonym
- Orgatix ZA 45 Synonym
- Zr 801 Synonym
- DN 801 Synonym
- ZA 45 Synonym
- 1-Propyl zirconate Synonym
- KBR 33 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.32 g/mol | CAS Common Chemistry |
| 155.352 g/mol | chempirical lib | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.050 g/cm3 | 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 |
| 0.3862 | RDKit | |
| Molar Refractivity | 17.376800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 149.96221927599998 g/mol | RDKit |
| Boiling Point | 208 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 151.32 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8OZr.
