tetrapotassium (phosphonatooxy)phosphonate

• ChemBase ID: 111056
• Molecular Formular: K4O7P2
• Molecular Mass: 330.336522
• Monoisotopic Mass: 329.76675232
• SMILES: [K+].[K+].[K+].[K+].[O-]P(=O)([O-])OP(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)(OP(=O)([O-])[O-])[O-].[K+].[K+].[K+].[K+]
• InChI: InChI=1S/4K.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4
• InChIKey: RYCLIXPGLDDLTM-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium (phosphonatooxy)phosphonate
• IUPAC Traditional name: tetrapotassium ion diphosphate; tetrapotassium diphosphate
• Synonyms: Potassium pyrophosphate, anhydrous; POTASSIUM PYROPHOSPHATE; Potassium diphosphate tetrabasic; Tetrapotassium diphosphate; Potassium pyrophosphate; Potassium pyrophosphate; Pyrophosphate potassium; Potassium pyrophosphate tetrabasic; 焦磷酸钾, tech.; 焦磷酸钾, 无水; 焦磷酸四钾; 焦磷酸钾（无水）; 焦磷酸钾; 焦磷酸钾（含水）

Database IDs

• CAS Number: 7320-34-5
• EC Number: 230-785-7
• MDL Number: MFCD00011393
• Merck Index: 147663
• PubChem SID: 162097007; 24859317
• PubChem CID: 23740

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: Soluble in water
• Apperance: Granular; Powder; solid
• Melting Point: 1090°C; 1300 °C(lit.)
• Boiling Point: dec.
• Density: 2.33

Safety Information

• Storage Warning: Hygroscopic
• RTECS: JL6735000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36; 36/37/38
• Safety Statements: 26; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98%; 95%; 96% min; 97%
• Grade: puriss.
• Impurities: ≤0.001% heavy metals (as Pb)
• Cation Traces: Fe: ≤10 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤20 mg/kg
• Linear Formula: K4P2O7

DETAILS

Sigma Aldrich - 322431

Packaging
2.5 kg in poly bottle
25, 500 g in poly bottle