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Tetrasodium Pyrophosphate

CAS: 7722-88-5 | H4Na4O7P2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 7722-88-5
Molecular Formula: H4Na4O7P2
Molecular Mass: 269.93 g/mol

Names and Synonyms:

Tetrasodium Pyrophosphate
SPP
Diphosphoric acid, sodium salt (1:4)
Pyrophosphoric acid, tetrasodium salt
Diphosphoric acid, tetrasodium salt
Anhydrous tetrasodium pyrophosphate
Phosphotex
Tetrasodium diphosphate
Tetrasodium pyrophosphate
TSPP
Victor TSPP
Sodium pyrophosphate (Na4P2O7)
Sodium pyrophosphate
Sodium diphosphate (Na4P2O7)
Sodium phosphate (Na4P2O7)
Tetrasodium pyrophosphate (Na4P2O7)
Tetrasodium diphosphate (Na4P2O7)
Sodium diphosphate
Accoline 126
SPP (phosphate)
Thermphos Pyro E 450
Sodium phosphorus oxide (Na4P2O7)
Phosphomix 110
Nankarin S 1

Identifiers:

SMILES:
O=P(O)(O)OP(=O)(O)O.[Na].[Na].[Na].[Na]
InChI:
InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)

Key Properties

Melting Point
988 °C CAS Common Chemistry
Density
2.53 g/cm³ CAS Common Chemistry

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 269.93 g/mol CAS Common Chemistry
269.93300000000005 g/mol RDKit
269.902302848 g/mol RDKit
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
LogP -2.3348000000000004 RDKit
Molar Refractivity 48.1892 RDKit

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