potassium dihydrogen phosphate

• ChemBase ID: 105585
• Molecular Formular: H2KO4P
• Molecular Mass: 136.085541
• Monoisotopic Mass: 135.93277685
• SMILES: [K+].[O-]P(=O)(O)O
• Canonical SMILES: [O-]P(=O)(O)O.[K+]
• InChI: InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
• InChIKey: GNSKLFRGEWLPPA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium dihydrogen phosphate
• IUPAC Traditional name: potassium ion dihydrogenphosphate ion; potassium dihydrogen phosphate
• Synonyms: Phosphate, Ion chromatography standard solution, Specpure®, PO4?; Potassium orthophosphate; Potassium dihydrogen phosphate, Puratronic®; Kalii dihydrogenophosphas; Potassium phosphate monobasic solution; Monopotassium phosphate; Potassium dihydrogen phosphate; prim.-Potassium phosphate; Potassium Phosphate Monobasic solution; Potassium dihydrogen phosphate solution; Phosphate standard for IC; Phosphate standard solution; Phosphorus standard solution; POTASSIUM PHOSPHATE MONOBASIC ANHYDROUS ACS REAGENT GRADE; POTASSIUM PHOSPHATE MONOBASIC ANHYDROUS; POTASSIUM PHOSPHATE MONOBASIC, HPLC GRADE; Potassium phosphate monobasic; Potassium phosphate monobasic; Phosphoric acid, monopotassium salt; Monopotassium phosphate; Potassium dihydrogen phosphate, ACS; Potassium phosphate, monobasic; Potassium dihydrogen phosphate; 1000 g/ml; 磷酸二氢钾, Puratronic®; 磷酸钾 一元 溶液; 磷酸二氢钾 溶液; 磷酸二氢钾 溶液; 酸性磷酸钾 溶液; 磷酸根 IC 标准溶液; Phosphate standard solution; Phosphorus standard solution; 无水磷酸二氢钾; 磷酸一钾; 磷酸二氢钾; 磷酸钾 一元; 磷酸二氢钾, ACS; 磷酸二氢钾

Database IDs

• CAS Number: 7778-77-0
• EC Number: 231-913-4; 231-791-2
• MDL Number: MFCD00145108; MFCD00011401
• Merck Index: 147659
• PubChem SID: 24898943; 24898921; 24881814; 24853748; 24898968; 24881815; 24898687; 24845701; 24898627; 24881811; 24898120; 24858321; 24881813; 24887452; 162093844; 24881812
• PubChem CID: 516951
• CHEMBL: 1200925
• Chemspider ID: 22914
• Unique Ingredient Identifier: 4J9FJ0HL51
• Wikipedia Title: Monopotassium_phosphate

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 13.5302 cm^3
• Polarizability: 5.806723 Å^3
• Polar Surface Area: 80.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

• Solubility: 22 g/100 mL (25 °C) in water; H2O: soluble0.1 g/mL at 25 °C, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1.5 M at 20 °C, clear, colorless; H2O: soluble100 mg/mL; slightly soluble in ethanol; Slightly soluble in water. Insoluble in alcohol
• Apperance: chunks; Crystalline; Crystalline Powder; Liquid; powder; solid; White powder ; deliquescent
• Melting Point: 250 °C with decomposition; 252.6 °C(lit.); 252.6 °C; 253°C
• Boiling Point: 400 °C, dec
• Flash Point: Non-flammable
• Density: .5 - 1.3 g/cm^3 at 20 °C (bulk density); 0.995 g/mL at 25 °C; 1.00 g/mL at 20 °C; 2.338; 2.338 g/cm^3; 2.338 g/mL at 25 °C(lit.)
• Refractive Index: 1.4864
• Absorption Wavelength: λ: 210 nm Amax: 0.1; λ: 220 nm Amax: 0.06; λ: 230 nm Amax: 0.04; λ: 240 nm Amax: 0.06; λ: 260 nm Amax: 0.04; λ: 260 nm Amax: 0.046; λ: 280 nm Amax: 0.040; λ: 300 nm Amax: 0.02; λ: 500 nm Amax: 0.02
• pKa: (1) 2.15, (2) 6.82, (3) 12.38 (phosphoric acid); (1) 2.15, (2) 6.82, (3) 12.38 (phosphoric acid) (25°C); 7.2
• pKb: 11.9
• Odor: odorless
• pH: 4.0-4.5 (20 °C, 1.5 M in H2O); 4.0-4.5 (25 °C, 1 M in H2O); 4.1-4.5 (20 °C, 50 mg/mL in H2O); 4.1-4.5 (25 °C, 5%); 4.2-4.5 (20 °C, 5%)

• Storage Condition: Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: TC6615500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 2
• Risk Statements: 36/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS07
• NFPA704:
  

  0

  1

  0
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

• Purity: ≥98%; ≥99%; ≥98.0%; ≥99%; ≥99.0%; ≥99.0% (T); ≥99.5%; ≥99.5% (T); ≥99.995% (metals basis); 98+%; 98-100.5% (calc. to the dried substance); 99.0% min; 99.5-100.5%; 99.5-100.5% (calc. on dry substance); 99.99%; 99.999% (metals basis), Si 10ppm max
• Concentration: 0.1 mg/mL PO43-; 1.0 M in solution; 1.000 g/L; 1.5 M in H2O; 1000 ppm P; in H2O
• Grade: ACS; ACS reagent; anhydrous