tetrapotassium hexacyanoirontetrauide trihydrate

• ChemBase ID: 130854
• Molecular Formular: C6H6FeK4N6O3
• Molecular Mass: 422.38844
• Monoisotopic Mass: 421.8399023
• SMILES: C(#N)[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[K+].[K+].[K+].[K+]
• Canonical SMILES: N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/6CN.Fe.4K.3H2O/c6*1-2;;;;;;;;/h;;;;;;;;;;;3*1H2/q;;;;;;-4;4*+1
• InChIKey: NRYOVBQTVIWDNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium hexacyanoirontetrauide trihydrate
• IUPAC Traditional name: tetrapotassium ferrocyanide trihydrate
• Synonyms: Potassium ferrocyanide; Yellow prussiate; Potassium hexacyanoferrate(II) trihydrate; 亚铁氰化钾; 黄血盐; 六氰基高铁(II)酸钾 三水合物

Database IDs

• CAS Number: 14459-95-1
• EC Number: 237-722-2
• MDL Number: MFCD00167023
• PubChem SID: 24897881; 24881827; 24899032; 24858899; 162225132; 24869100
• PubChem CID: 16211991

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.2594
• LogD (pH = 7.4): -0.2594
• Log P: -0.2594
• Molar Refractivity: 39.9336 cm^3
• Polarizability: 15.723072 Å^3
• Polar Surface Area: 142.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.5 M at 20 °C, clear, faintly yellow to greenish-yellow
• Apperance: crystalline; fine crystals
• Melting Point: 70 °C(lit.)
• pH: 8.0-10.0 (25 °C, 0.5 M in H2O)

Safety Information

• German water hazard class: 2
• Risk Statements: 32-52/53
• Safety Statements: 22-24/25-47-61
• GHS Hazard statements: H412
• GHS Precautionary statements: P273
• Personal Protective Equipment: Gloves; Gloves, type N95 (US), type P1 (EN143) respirator filter
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: ≥99%; ≥99.0% (RT); ≥99.5% (RT); ≥99.99% trace metals basis; 98.5-102.0%; 99%; 99.0-101.0%; 99.5-101.0%
• Grade: ACS reagent; ACS reagent, reag. ISO, reag. Ph. Eur.; puriss. p.a.; purum; purum p.a.; SAJ first grade; SAJ special grade
• Impurities: ≤0.0015% free alkali (as carbonate); ≤0.005% Insoluble matter; ≤0.005% insolubles; ≤0.02% water insoluble matter; insoluble matter, passes filter test
• Cation Traces: As: ≤0.1 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤10 mg/kg; Cr: ≤5 mg/kg; Cr: ≤50 mg/kg; Cu: ≤10 mg/kg; Cu: ≤20 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤10 mg/kg; Pb: ≤20 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: carbonate (CO32-): ≤20 mg/kg; chloride (Cl-): ≤0.01%; chloride (Cl-): ≤50 mg/kg; chloride (Cl-): ≤500 mg/kg; chloride (Cl-): ≤5000 mg/kg; sulfate (SO42-): ≤1000 mg/kg; sulfate (SO42-): ≤50 mg/kg; sulfate (SO42-): ≤500 mg/kg; sulfate (SO42-): passes test; sulfate (SO42-): passes test (limit about 0.01%)
• Product Line: BioUltra
• abs.: absorption0.5M/411 nm, H2O cut-off
• Linear Formula: K4Fe(CN)6 · 3H2O

DETAILS

Sigma Aldrich - 455989

Packaging
25, 100 g in poly bottle
Application
Applied in formation of a xerogel via a cyanogel the gel has potential use in solid-state gas sensors.1

Sigma Aldrich - P3289

包装
5, 100, 500 g in poly bottle