Sodium polyphosphate
- Iupac Name：disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate
- CAS No.: 68915-31-1
- Molecular Weight：321.88
- Modify Date.: 2023-01-05 15:19
1. Names and Identifiers
- 1.1 Name
- Sodium polyphosphate
- 1.2 Synonyms
disodium [hydroxy(oxidanidyl)phosphoryl] hydrogen phosphate Polyphosphorsuren, Natriumsalze Sodium Hexa meta phophate SODIUM HEXAMETAPHOSPHATE(TECH.GRADE) SODIUM POLYPHOSPHATE EXTRA PURE SodiumHexametaphosphateFoodGrade&TechnicalGrade SodiumHexametaphosphateGlassy
- 1.3 CAS No.
- 68915-31-1
- 1.4 CID
- 24451
- 1.5 EINECS(EC#)
- 272-808-3
- 1.6 Molecular Formula
- Na3O10P3X2 (isomer)
- 1.7 Inchi
- InChI=1S/Na.6HO3P/c;6*1-4(2)3/h;6*(H,1,2,3)/q+1;;;;;;/p-6
- 1.8 InChkey
- FWYVLGJBTZNHEM-UHFFFAOYSA-H
- 1.9 Canonical Smiles
- [Na+].[O-]P(=O)=O.[O-]P(=O)=O.[O-]P(=O)=O.[O-]P(=O)=O.[O-]P(=O)=O.[O-]P(=O)=O
- 1.10 Isomers Smiles
- OP(=O)([O-])OP(=O)(O)[O-].[Na+].[Na+]
2. Properties
- 2.1 Density
- Density: 1.86 /Hexahydrate/
- 2.1 PH
- Between 3,7 and 5,0 (1 % solution)
- 2.2 Water Solubility
- Soluble in water
3. Safety and Handling
- 3.1 WGK Germany
- 1
- 3.1 RTECS
- TR4950250
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Other Information
- 5.0 Uses
- Sequestering and deflocculating agents, primar- ily in water treatment, food processing, and cleaning compounds; heavy-set detergent builders.
- 5.1 Uses
- sodium polyphosphate is a preservative against bacteria, molds, and yeasts. When used in high concentrations, it can cause skin irritation.
- 5.2 Uses
- Sodium hexametaphosphate has been used as a polyphosphate anion source to prepare hydrated calcium polyphosphate powder. It can be used as a deflocculant to prepare suspensions of kaolinite and ceramic grade kaolin.
- 5.3 Definition
- The two most important crystalline sodium polyphosphates are the pyrophosphate (n = 2) and the tripolyphosphate, also called the triphosphate (n = 3). The term sodium polyphosphate also includes the system of vitreous sodium phosphates for which the mole ratio of Na2O/P2O5 is between 1 and 2.
- 5.4 General Description
- Sodium hexametaphosphate is an inorganic polyphosphate salt commonly used as a corrosion inhibitor, emulsifying agent and as a tooth whitening agent in dentifrice formulations.
- 5.5 Hazard
- As for sodium phosphate.
- 5.6 Biochem/physiol Actions
- Intended for the cytologic demonstration of Naphthol AS-D Chloroacetate Esterase in blood, bone marrow films or tissue touch preparations.
6. Computational chemical data
- Molecular Weight: 321.88g/mol
- Molecular Formula: Na3O10P3X2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 221.90711496
- Monoisotopic Mass: 221.90711496
- Complexity: 143
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Topological Polar Surface Area: 130
- Heavy Atom Count: 11
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 3
- CACTVS Substructure Key Fingerprint: AAADcQAAODMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACCAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Question & Answer
-
Specific for your compound you find at least two public IR spectra, either in KBr: ( source ) or from one of the larger chemical vendors as .pdf ( source , Sigma-Aldrich, product number 305553, CAS-RN 68915-31-1) More generally speaking for phosphates , you equally find some related entries in NIST...
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