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Sodium Pyrosulfate
CAS: 13870-29-6 | H2Na2O7S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13870-29-6
Molecular Formula:
H2Na2O7S2
Molecular Mass:
224.12 g/mol
Names and Synonyms:
Sodium Pyrosulfate
Disulfuric acid, sodium salt (1:2)
Pyrosulfuric acid, disodium salt
Sodium pyrosulfate
Disulfuric acid, disodium salt
Disodium pyrosulfate
Sodium disulfate
Sodium pyrosulfate (Na2S2O7)
Disodium disulfate
Sodium sulfate (Na2S2O7)
Pyrosulfuric acid sodium salt (1:2)
Identifiers:
SMILES:
O=S(=O)(O)OS(=O)(=O)O.[Na].[Na]
InChI:
InChI=1S/2Na.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6)
Key Properties
Melting Point
396 °C
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 | 224.12 g/mol | CAS Common Chemistry |
| 224.123 g/mol | RDKit | |
| 223.903732964 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_pyrosulfate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)OS(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=MMNRHAASVTYVGH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 396 °C | CAS Common Chemistry |
| Name | Sodium pyrosulfate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.97000000000001 Ų | RDKit |
| LogP | -2.1529999999999996 | RDKit |
| Molar Refractivity | 35.6902 | RDKit |
