tetrasodium decahydrate (phosphonatooxy)phosphonate

• ChemBase ID: 103672
• Molecular Formular: H20Na4O17P2
• Molecular Mass: 446.055202
• Monoisotopic Mass: 445.97664956
• SMILES: O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])OP(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)(OP(=O)([O-])[O-])[O-].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/4Na.H4O7P2.10H2O/c;;;;1-8(2,3)7-9(4,5)6;;;;;;;;;;/h;;;;(H2,1,2,3)(H2,4,5,6);10*1H2/q4*+1;;;;;;;;;;;/p-4
• InChIKey: VZWGHDYJGOMEKT-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium decahydrate (phosphonatooxy)phosphonate
• IUPAC Traditional name: tetrasodium decahydrate diphosphate; tetrapotassium decahydrate diphosphate
• Synonyms: Pyrophosphate inorganic; Sodium diphosphate tetrabasic; Sodium pyrophosphate decahydrate, ACS; Sodium phosphate (pyro); Sodium pyrophosphate tetrabasic decahydrate; Pyrophosphate Sodium Salt Decahydrate; Sodium pyrophosphate tetrabasic decahydrate; Tetrasodium pyrophosphate; SODIUM PYROPHOSPHATE, ACS; Sodium pyrophosphate decahydrate; 十水焦磷酸钠, ACS; 十水焦磷酸钠; 二磷酸钠 四元; 无机焦磷酸盐; 焦磷酸四钠; 焦磷酸钠 四元 十水合物; 焦磷酸钠 四元 十水合物; 焦磷酸钠 十水合物

Database IDs

• CAS Number: 13472-36-1
• EC Number: 231-767-1
• MDL Number: MFCD00149200
• Merck Index: 149240
• PubChem SID: 162090741; 24858327; 24899702; 24886215; 24886214; 24853232
• PubChem CID: 3084150

CALCULATED PROPERTIES

• Acid pKa: 1.7026764
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -5.934867
• LogD (pH = 7.4): -6.883358
• Log P: -1.4419023
• Molar Refractivity: 21.038 cm^3
• Polarizability: 10.301113 Å^3
• Polar Surface Area: 135.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 M at 20 °C, clear, colorless; H2O: soluble0.5 M, clear, colorless
• Apperance: Crystalline
• Melting Point: 79.5°C; 93.8°C
• Density: 1.82; 1.82 g/ml
• Absorption Wavelength: λ: 260 nm Amax: 0.010; λ: 280 nm Amax: 0.010
• pH: 9.5-10.5 (25 °C, 5%); 9.5-10.5 (25 °C, 50 mg/mL in H2O); 9.5-11.0 (25 °C, 0.1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: UX7350000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38; R:34
• Safety Statements: 26-36; 26-37; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H303
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (T); ≥99%; ≥99.0%; ≥99.0% (T); ≥99.5% (T); 97+%; 99.0-103.0%; 99.0-103.0% (ACS specification); 99-103%
• Grade: ACS; ACS reagent; JIS special grade; puriss. p.a.; purum p.a.; REAGENT; SAJ first grade; technical
• Impurities: ≤0.0005% heavy metals (as Pb); ≤0.001% N compounds; ≤0.001% total nitrogen (N); ≤0.01% Insoluble matter; ≤0.01% insolubles; insoluble matter, passes filter test
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; As: ≤1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.0005%; Ca: ≤10 mg/kg; Ca: ≤100 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤0.001%; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.001%; K: ≤0.005%; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.002%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤1000 mg/kg; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤50 mg/kg
• λ: 0.1 M in H2O
• Product Line: BioUltra
• Linear Formula: Na4P2O7 · 10H2O

DETAILS

MP Biomedicals - 02152579

Decahydrate
ACS Reagent Grade
Purity: 99-103%

Sigma Aldrich - 71515

Other Notes
In assays involving ATP-pyrophosphate exchange - tryptophanyl-tRNA synthesis1; Enzyme assay in which the product pyrophosphate is measured, addition of carrier pyrophosphate insures quantitative precipitation2

Sigma Aldrich - 221368

Packaging
1, 2.5 kg in poly bottle
100, 500 g in poly bottle