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Molecule
Tetrasodium Pyrophosphate
CAS: 7722-88-5 · H4Na4O7P2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7722-88-5
- Molecular Formula
- H4Na4O7P2
- Molecular Mass
- 269.93 g/mol
Identifiers
CAS Registry Number
7722-88-5
SMILES
O=P(O)(O)OP(=O)(O)O.[Na].[Na].[Na].[Na]
InChI Key
WTXQIGCNRZDSJU-UHFFFAOYSA-N
InChI
InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)
Names and Synonyms
- Tetrasodium Pyrophosphate Synonym
- SPP Synonym
- Diphosphoric acid, sodium salt (1:4) Synonym
- Pyrophosphoric acid, tetrasodium salt Synonym
- Diphosphoric acid, tetrasodium salt Synonym
- Anhydrous tetrasodium pyrophosphate Synonym
- Phosphotex Synonym
- Tetrasodium diphosphate Synonym
- Tetrasodium pyrophosphate Synonym
- TSPP Synonym
- Victor TSPP Synonym
- Sodium pyrophosphate (Na4P2O7) Synonym
- Sodium pyrophosphate Synonym
- Sodium diphosphate (Na4P2O7) Synonym
- Sodium phosphate (Na4P2O7) Synonym
- Tetrasodium pyrophosphate (Na4P2O7) Synonym
- Tetrasodium diphosphate (Na4P2O7) Synonym
- Sodium diphosphate Synonym
- Accoline 126 Synonym
- SPP (phosphate) Synonym
- Thermphos Pyro E 450 Synonym
- Sodium phosphorus oxide (Na4P2O7) Synonym
- Phosphomix 110 Synonym
- Nankarin S 1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.93 g/mol | CAS Common Chemistry |
| 269.93300000000005 g/mol | RDKit | |
| 269.933 g/mol | RDKit | |
| 273.965 g/mol | chempirical lib | |
| Density | 2.53 g/cm³ | CAS Common Chemistry |
| 2.534 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrasodium_pyrophosphate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=P(O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=WTXQIGCNRZDSJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 988 °C | CAS Common Chemistry |
| Name | Tetrasodium pyrophosphate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.29000000000002 Ų | RDKit |
| 124.29 Ų | RDKit | |
| LogP | -2.3348000000000004 | RDKit |
| -2.3348 | RDKit | |
| Molar Refractivity | 48.1892 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 269.902302848 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 = 269.93 g/mol; density = 2.530 g/mL. Edit any field — others recompute live.
