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Monosodium Phosphate
CAS: 7558-80-7 | H3NaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7558-80-7
Molecular Formula:
H3NaO4P
Molecular Weight:
120.98399999999998 g/mol
Names and Synonyms:
Monosodium Phosphate
Sodium primary phosphate
Sodium monobasic phosphate (NaH2PO4)
Monosodium dihydrogen orthophosphate
Sodium dihydrogen monophosphate
Sodium phosphate, monobasic
Sodium dihydrogen orthophosphate
Dihydrogen sodium phosphate
Monobasic sodium phosphate
Sodium phosphate (Na(H2PO4))
Monosodium phosphate
Phosphoric acid, monosodium salt
Phosphoric acid, sodium salt (1:1)
S 3139
Sodium monobasic phosphate
Sodium orthophosphate monobasic
Dihydrogen monosodium phosphate
Monobasic sodium phosphate (NaH2PO4)
Sodium hydrogen phosphate (NaH2PO4)
Sodium dihydrogen phosphate
Sodium dihydrogen phosphate (NaH2PO4)
Monosodium hydrogen phosphate
Identifiers:
SMILES:
O=P(O)(O)O.[Na]
InChI:
InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
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 | 120.98 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Monosodium_phosphate None | Legacy Database |
| cas-canonical-smile | [Na].O=P(O)(O)O None | Legacy Database |
| cas-inchi | InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=NFIYTPYOYDDLGO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 60 °C None | Legacy Database |
| cas-name | Monosodium phosphate None | Legacy Database |
| wikipedia-name | Monosodium phosphate None | Legacy Database |
| LogP | -1.3094000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 120.98399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.96666448600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 77.76 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.0169 | RDKit |
