disodium hydrogen (hydrogen phosphonatooxy)phosphonate

• ChemBase ID: 102985
• Molecular Formular: H2Na2O7P2
• Molecular Mass: 221.938742
• Monoisotopic Mass: 221.90711423
• SMILES: [Na+].[Na+].OP(=O)([O-])OP(=O)(O)[O-]
• Canonical SMILES: [O-]P(=O)(OP(=O)(O)[O-])O.[Na+].[Na+]
• InChI: InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
• InChIKey: GYQBBRRVRKFJRG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium hydrogen (hydrogen phosphonatooxy)phosphonate
• IUPAC Traditional name: dipotassium diphosphate(2-); disodium pyrophosphate 2-
• Synonyms: Diphosphoric Acid Disodium Salt; Disodium Dihydrogen Pyrophosphate; Sodium Pyrophosphate dibasic; Sodium diphosphate dibasic; PYROPHOSPHATE DISODIUM SALT; Diphosphoric acid, disodium salt; Disodium diphosphate; Sodium acid pyrophosphate, SAPP; Disodium pyrophosphate; Sodium pyrophosphate dibasic; 二磷酸钠 二元; 焦磷酸二氢二钠; 焦磷酸钠 二元

Database IDs

• CAS Number: 7758-16-9
• EC Number: 231-835-0
• MDL Number: MFCD00014246
• PubChem SID: 162089609; 24886205; 24886207; 24898911
• PubChem CID: 24451
• Chemspider ID: 22859
• Unique Ingredient Identifier: H5WVD9LZUD
• Wikipedia Title: Disodium_pyrophosphate

CALCULATED PROPERTIES

• Acid pKa: 1.7026764
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.9322352
• LogD (pH = 7.4): -6.7963495
• Log P: -1.4419023
• Molar Refractivity: 23.2814 cm^3
• Polarizability: 10.543314 Å^3
• Polar Surface Area: 129.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 11.9 g/100 mL (20 °C) in water; H2O: soluble0.1 M at 20 °C, clear, colorless
• Apperance: white odorless powder
• Melting Point: >600 °C; ca. 200 °C
• Flash Point: Non-flammable
• Density: 1.1-1.3 g/cm^3; ca. .8 - 1.2 g/cm^3 at 20 °C (bulk density)
• Refractive Index: 1.4645 (hexahydrate)
• Absorption Wavelength: λ: 260 nm Amax: 0.11; λ: 280 nm Amax: 0.09
• pH: 3.5-4.5 (20 °C, 0.1 M in H2O, freshly prepared)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: UX6475000
• German water hazard class: 2
• EU Index: Not listed
• LD50: 2650 mg/kg (mouse, oral)
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (T)
• Grade: practical grade
• Impurities: insoluble matter, passes filter test
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.2 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 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: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤10 mg/kg; Fe: ≤50 mg/kg; K: ≤300 mg/kg; K: ≤500 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg
• Loss on Drying: ≤0.5% loss on drying, 200 °C
• λ: 1 M in H2O
• Product Line: BioUltra; BioXtra
• Linear Formula: Na2H2P2O7

DETAILS

MP Biomedicals - 02150151

Disodium Salt
Anhydrous

Sigma Aldrich - P8135

Packaging
500 g in poly bottle