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Molecule
Zirconium Phosphate (Zr(Hpo4)2)
CAS: 13772-29-7 · H3O4PZr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13772-29-7
- Molecular Formula
- H3O4PZr
- Molecular Mass
- 189.22 g/mol
Identifiers
CAS Registry Number
13772-29-7
SMILES
O=P(O)(O)O.[Zr]
InChI Key
SDKTUKJXHDZWMB-UHFFFAOYSA-N
InChI
InChI=1S/H3O4P.Zr/c1-5(2,3)4;/h(H3,1,2,3,4);
Names and Synonyms
- Zirconium Phosphate (Zr(Hpo4)2) Synonym
- Phosphoric acid, zirconium(4+) salt (2:1) Synonym
- Zirconium phosphate Synonym
- Zirconium hydrogen phosphate (Zr(HPO4)2) Synonym
- Zirconium bis(monohydrogen phosphate) Synonym
- Phosphoric acid zirconium salt (2:1) Synonym
- Zirconium monohydrogen phosphate (Zr(HPO4)2) Synonym
- Zirconium bis(monohydrogen orthophosphate) Synonym
- γ-Zirconium phosphate Synonym
- Zirconium hydrogen orthophosphate Synonym
- α-Zirconium phosphate Synonym
- Zirconium phosphate (Zr(HPO4)2) Synonym
- Zirconium bis(hydrogen phosphate) Synonym
- ZP 101 Synonym
- NS 10TZ Synonym
- TZP 65 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.22 g/mol | CAS Common Chemistry |
| 189.218 g/mol | RDKit | |
| 193.25 g/mol | chempirical lib | |
| Canonical SMILES | [Zr].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H3O4P.Zr/c1-5(2,3)4;/h(H3,1,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=SDKTUKJXHDZWMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zirconium phosphate (Zr(HPO4)2) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -0.9311 | RDKit |
| Molar Refractivity | 14.262899999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.881599606 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 189.22 g/mol. Edit any field — others recompute live.
