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Molecule
Sodium Trimetaphosphate
CAS: 7785-84-4 · H3Na3O9P3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7785-84-4
- Molecular Formula
- H3Na3O9P3
- Molecular Mass
- 308.91 g/mol
Identifiers
CAS Registry Number
7785-84-4
SMILES
O=P1(O)OP(=O)(O)OP(=O)(O)O1.[Na].[Na].[Na]
InChI Key
QXLZJPAXEGLSGU-UHFFFAOYSA-N
InChI
InChI=1S/3Na.H3O9P3/c;;;1-10(2)7-11(3,4)9-12(5,6)8-10/h;;;(H,1,2)(H,3,4)(H,5,6)
Names and Synonyms
- Sodium Trimetaphosphate Common Name
- STMP Synonym
- Metaphosphoric acid (H3P3O9), sodium salt (1:3) Synonym
- Metaphosphoric acid (H3P3O9), trisodium salt Synonym
- Sodium metaphosphate (Na3(P3O9)) Synonym
- Sodium metaphosphate Synonym
- Sodium trimetaphosphate Synonym
- Sodium metaphosphate ((NaPO3)3) Synonym
- Trisodium metaphosphate Synonym
- Trisodium trimetaphosphate (Na3P3O9) Synonym
- Trisodium trimetaphosphate Synonym
- Cyclic sodium trimetaphosphate Synonym
- Trimetaphosphoric acid (H3P3O9), trisodium salt Synonym
- Sodium phosphate ((NaPO3)3) Synonym
- Trisodium cyclotriphosphate Synonym
- Detoxol Synonym
- Trisodium tricyclophosphate Synonym
- Sodium phosphate (Na3P3O9) Synonym
- Sodium cyclotriphosphate (Na3P3O9) Synonym
- Polyrinsan 5B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.91 g/mol | CAS Common Chemistry |
| 308.907 g/mol | RDKit | |
| 311.931 g/mol | chempirical lib | |
| Density | 2.49 g/cm³ | CAS Common Chemistry |
| 2.49 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_trimetaphosphate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=P1(O)OP(=O)(O)OP(=O)(O)O1 | CAS Common Chemistry |
| InChI | InChI=1S/3Na.H3O9P3/c;;;1-10(2)7-11(3,4)9-12(5,6)8-10/h;;;(H,1,2)(H,3,4)(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=QXLZJPAXEGLSGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium trimetaphosphate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 139.58999999999997 Ų | RDKit |
| 139.59 Ų | RDKit | |
| LogP | -0.7914000000000003 | RDKit |
| -0.7914 | RDKit | |
| Molar Refractivity | 49.9929 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 308.86829940600006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 308.91 g/mol; density = 2.490 g/mL. Edit any field — others recompute live.
