disodium dodecahydrate hydrogen phosphate

• ChemBase ID: 155910
• Molecular Formular: H25Na2O16P
• Molecular Mass: 358.142201
• Monoisotopic Mass: 358.06755991
• SMILES: O.O.O.O.O.O.O.O.O.O.O.O.OP(=O)([O-])[O-].[Na+].[Na+]
• Canonical SMILES: [O-]P(=O)(O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/2Na.H3O4P.12H2O/c;;1-5(2,3)4;;;;;;;;;;;;/h;;(H3,1,2,3,4);12*1H2/q2*+1;;;;;;;;;;;;;/p-2
• InChIKey: DGLRDKLJZLEJCY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium dodecahydrate hydrogen phosphate
• IUPAC Traditional name: disodium dodecahydrate hydrogen phosphate
• Synonyms: sec-Sodium phosphate; Disodium hydrogen phosphate dodecahydrate; Disodium phosphate; di-Sodium hydrogen phosphate dodecahydrate; Sodium phosphate dibasic dodecahydrate; Dinatrii phosphas dodecahydricus; 二盐基磷酸钠; 磷酸二钠; 磷酸氢二钠 十二水合物; 磷酸钠 二元 十二水合物; 磷酸氢二钠

Database IDs

• CAS Number: 10039-32-4
• EC Number: 231-448-7
• MDL Number: MFCD00149181
• PubChem SID: 24886243; 24886242; 24845713; 162250048
• PubChem CID: 61456

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 12.4085 cm^3
• Polarizability: 5.685633 Å^3
• Polar Surface Area: 83.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 M at 20 °C, clear, colorless
• Absorption Wavelength: λ: 260 nm Amax: 0.01; λ: 280 nm Amax: 0.01
• pH: 8.4-9.6 (20 °C, 1%); 8.8-9.4 (20 °C, 50 mg/mL in H2O); 8.8-9.4 (25 °C, 0.1 M in H2O); 9.0-9.3 (20 °C, 5%); 9.0-9.3 (25 °C, 50 mg/mL in H2O)

Safety Information

• RTECS: TC5725000
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0; ≥98.0% (T); ≥99.0%; ≥99.0% (T); 98.5-101% (calc. to the dried substance); 99.0-100.5%; 99-101% (calc. to the dried substance)
• Grade: JIS special grade; Ph Eur; puriss. p.a.; purum p.a.; SAJ first grade
• Suitability: complies for appearance of solution; suitable for oxidant determination
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.001% Total nitrogen (N); ≤0.005% In water insoluble matters; ≤0.5% NaH2PO4(calc. to dried subst.); ≤1% NaH2PO4(calc. to dried subst.); 57-61% water (Karl Fischer); insoluble matter, passes filter test; reducing matter, complies; Reducing matter, complies; residual solvents, complies
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.5 mg/kg; As: ≤1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤1 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤20 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Hg: ≤1 mg/kg; K: ≤10 mg/kg; K: ≤100 mg/kg; K: ≤50 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: ≤2 mg/kg; Pb: ≤4 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤10 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤50 mg/kg; fluoride (F-): ≤10 mg/kg; fluoride (F-): ≤5 mg/kg; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: 57-61% loss on drying
• Quality: crystallized; meets analytical specification of Ph. Eur., BP, E339
• λ: 0.1 M in H2O
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Product Line: BioXtra
• Linear Formula: Na2HPO4 · 12H2O

DETAILS

Sigma Aldrich - 71649

Other Notes
For enzymatic and histochemical studies1,2

Sigma Aldrich - 71650

Packaging
1 kg in poly bottle