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Molecule
Zirconium(Iv) Sulfate
CAS: 14644-61-2 · H2O4SZr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14644-61-2
- Molecular Formula
- H2O4SZr
- Molecular Mass
- 189.30 g/mol
Identifiers
CAS Registry Number
14644-61-2
SMILES
O=S(=O)(O)O.[Zr]
InChI Key
XIFFNSGJZPAYQJ-UHFFFAOYSA-N
InChI
InChI=1S/H2O4S.Zr/c1-5(2,3)4;/h(H2,1,2,3,4);
Names and Synonyms
- Zirconium(Iv) Sulfate Common Name
- Sulfuric acid, zirconium(4+) salt (2:1) Synonym
- Zirconium sulfate (Zr(SO4)2) Synonym
- Zirconium sulfate Synonym
- Zirconium disulfate Synonym
- Zirconium orthosulfate Synonym
- Zirconium sulfate (1:2) Synonym
- Blancorol ZB 33 Synonym
- Tanfix SZS Synonym
- Norsyn GSZ Synonym
- ZB 33N Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.30 g/mol | CAS Common Chemistry |
| 189.303 g/mol | RDKit | |
| 193.328 g/mol | chempirical lib | |
| Density | 3.22 g/cm³ | CAS Common Chemistry |
| 3.22 g/cm3 @ 16 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zirconium(IV)_sulfate | CAS Common Chemistry |
| Canonical SMILES | [Zr].O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H2O4S.Zr/c1-5(2,3)4;/h(H2,1,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=XIFFNSGJZPAYQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 410 °C (decomp) | CAS Common Chemistry |
| Name | Zirconium sulfate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| 74.6 Ų | RDKit | |
| LogP | -0.6552999999999998 | RDKit |
| -0.6553 | RDKit | |
| Molar Refractivity | 14.1774 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.872083944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 189.30 g/mol; density = 3.220 g/mL. Edit any field — others recompute live.
