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Zirconium(Iv) Sulfate
CAS: 14644-61-2 | H2O4SZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14644-61-2
Molecular Formula:
H2O4SZr
Molecular Mass:
189.30 g/mol
Names and Synonyms:
Zirconium(Iv) Sulfate
Sulfuric acid, zirconium(4+) salt (2:1)
Zirconium sulfate (Zr(SO4)2)
Zirconium sulfate
Zirconium disulfate
Zirconium orthosulfate
Zirconium sulfate (1:2)
Blancorol ZB 33
Tanfix SZS
Norsyn GSZ
ZB 33N
Identifiers:
SMILES:
O=S(=O)(O)O.[Zr]
InChI:
InChI=1S/H2O4S.Zr/c1-5(2,3)4;/h(H2,1,2,3,4);
Key Properties
Melting Point
410 °C (decomp)
CAS Common Chemistry
Density
3.22 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 | 189.30 g/mol | CAS Common Chemistry |
| 189.303 g/mol | RDKit | |
| 187.872083944 g/mol | RDKit | |
| Density | 3.22 g/cm³ | CAS Common Chemistry |
| 3.22 g/cm3 @ Temp: 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 |
| Zirconium(IV) 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 |
| LogP | -0.6552999999999998 | RDKit |
| Molar Refractivity | 14.1774 | RDKit |
