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Molecule
Sodium Monofluorophosphate
CAS: 10163-15-2 · H2FNa2O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10163-15-2
- Molecular Formula
- H2FNa2O3P
- Molecular Mass
- 145.97 g/mol
Identifiers
CAS Registry Number
10163-15-2
SMILES
O=P(O)(O)F.[Na].[Na]
InChI Key
PHMQTGQSPVTVPY-UHFFFAOYSA-N
InChI
InChI=1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);;
Names and Synonyms
- Sodium Monofluorophosphate Synonym
- Phosphorofluoridic acid, sodium salt (1:2) Synonym
- Phosphorofluoridic acid, disodium salt Synonym
- Sodium phosphorofluoridate ((NaO)2FPO) Synonym
- Disodium phosphorofluoridate Synonym
- Sodium fluorophosphate (Na2PO3F) Synonym
- Disodium fluorophosphate Synonym
- Disodium monofluorophosphate Synonym
- Sodium phosphorofluoridate (Na2PO3F) Synonym
- Sodium fluorophosphate (Na2PFO3) Synonym
- Sensodyne-Fluor Synonym
- Phoskadent Na 211 Synonym
- Sodium monofluorophosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.97 g/mol | CAS Common Chemistry |
| 145.965 g/mol | RDKit | |
| 147.981 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_monofluorophosphate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=P(F)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);; | CAS Common Chemistry |
| InChI Key | InChIKey=PHMQTGQSPVTVPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Disodium monofluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.7130000000000001 | RDKit |
| -0.713 | RDKit | |
| Molar Refractivity | 24.6601 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 145.952097334 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| 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 = 145.97 g/mol. Edit any field — others recompute live.
