tripotassium hydrate phosphate

• ChemBase ID: 153092
• Molecular Formular: H2K3O5P
• Molecular Mass: 230.281541
• Monoisotopic Mass: 229.85510483
• SMILES: O.[O-]P(=O)([O-])[O-].[K+].[K+].[K+]
• Canonical SMILES: [O-]P(=O)([O-])[O-].O.[K+].[K+].[K+]
• InChI: InChI=1S/3K.H3O4P.H2O/c;;;1-5(2,3)4;/h;;;(H3,1,2,3,4);1H2/q3*+1;;/p-3
• InChIKey: RMNIZOOYFMNEJJ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tripotassium hydrate phosphate
• IUPAC Traditional name: tripotassium hydrate phosphate
• Synonyms: tert-Potassium phosphate monohydrate; Tripotassium phosphate; Potassium phosphate tribasic monohydrate; 正磷酸钾 一水合物; 磷酸三钾; 磷酸钾 一水合物

Database IDs

• CAS Number: 27176-10-9
• EC Number: 231-907-1
• MDL Number: MFCD00150410
• PubChem SID: 24881893; 24881892; 162247232; 24845703
• PubChem CID: 22031701

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: H2O: soluble1 M at 20 °C, clear, colorless
• Absorption Wavelength: λ: 260 nm Amax: 0.03; λ: 280 nm Amax: 0.02
• pH: 12.5-14.0 (25 °C, 1 M in H2O)

Safety Information

• RTECS: TC8450000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥94% (T); ≥95%; ≥95% (T)
• Grade: purum p.a.
• Impurities: ≤0.002% heavy metals (as Pb); ≤0.6% free alkali; insoluble matter, passes filter test
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 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: ≤20 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤1000 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; sulfate (SO42-): ≤200 mg/kg
• Loss on Drying: ≤13% loss on ignition, 800 °C
• λ: 1 M in H2O
• Product Line: BioUltra
• Empirical Formula (Hill Notation): K3O4P · H2O