disodium phosphate

• ChemBase ID: 127154
• Molecular Formular: Na2O4P-
• Molecular Mass: 140.950901
• Monoisotopic Mass: 140.93295867
• SMILES: [Na+].[Na+].[O-]P(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[Na+].[Na+]
• InChI: InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-3
• InChIKey: BNIILDVGGAEEIG-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium phosphate
• IUPAC Traditional name: disodium phosphate
• Synonyms: Disodium hydrogen orthophosphate; Sodium hydrogen phosphate; Sodium phosphate dibasic; di-Sodium Phosphate; Disodium phosphate

Database IDs

• CAS Number: 7558-79-4
• EC Number: 231-448-7
• PubChem SID: 162221476
• PubChem CID: 21225616; 24203
• CHEBI ID: 34683
• CHEMBL: 1060
• Chemspider ID: 22625
• Unique Ingredient Identifier: 22ADO53M6F
• Wikipedia Title: Disodium_phosphate

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 7.7 g/100 ml (20 oC) ; 11.8 g/100 mL (25 °C, heptahydrate) in water
• Apperance: White crystalline solid
• Melting Point: 250 oC decomp.
• Flash Point: Non-flammable
• Density: 1.7 g/cm^3
• pKa: 6.83
• Odor: odorless

Safety Information

• RTECS: WC4500000
• EU Index: Not listed
• Main Hazard: Irritant
• NFPA704:
  

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