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Sodium Bisulfate
CAS: 7681-38-1 | H2NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7681-38-1
Molecular Formula:
H2NaO4S
Molecular Weight:
121.06899999999997 g/mol
Names and Synonyms:
Sodium Bisulfate
Sulfuric acid, sodium salt (1:1)
Sulfuric acid, monosodium salt
Nitre cake
Sodium acid sulfate
Sodium bisulfate
Sodium hydrogen sulfate
Niter cake
Monosodium sulfate
Bisulfate of soda
Sodium hydrosulfate
Monosodium hydrogen sulfate
BIF
Fanal
WC 00
WC-Klosettreiniger
WC-Perfect
WC-Super
Sodium hydrogen sulfate (NaHSO4)
Sodium bisulphate
Acid sodium sulfate
Monobasic sodium sulfate
Printgen N
Poultry Litter Treatment
SBS Pet
pHase (sodium bisulfite)
Identifiers:
SMILES:
O=S(=O)(O)O.[Na]
InChI:
InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 121.07 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_bisulfate None | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)O None | Legacy Database |
| cas-inchi | InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=PANBYUAFMMOFOV-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium bisulfate None | Legacy Database |
| wikipedia-name | Sodium bisulfate None | Legacy Database |
| LogP | -1.0335999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 121.06899999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.95714882400001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.9314 | RDKit |
