tetrapotassium hexacyanoirontetrauide

• ChemBase ID: 103663
• Molecular Formular: C6FeK4N6
• Molecular Mass: 368.3426
• Monoisotopic Mass: 367.80820825
• SMILES: [K+].[K+].[K+].[K+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N
• Canonical SMILES: N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/6CN.Fe.4K/c6*1-2;;;;;/q;;;;;;-4;4*+1
• InChIKey: OCPOWIWGGAATRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium hexacyanoirontetrauide
• IUPAC Traditional name: tetrapotassium ion ferrocyanide; tetrapotassium ferrocyanide
• Synonyms: Potassium ferrocyanide; Potassium hexacyanoferrate(II), 0.1N Standardized Solution; Potassium Hexacyanoferate II; Yellow prussiate; POTASSIUM FERROCYANIDE, ACS; Potassium ferrocyanide trihydrate; Potassium hexacyanoferrate(II) trihydrate; 六氰铁(II)酸钾, 0.1N标准溶液; 六氰基铁(II)酸钾三水合物

Database IDs

• CAS Number: 13943-58-3; 14459-95-1
• EC Number: 231-096-4; 237-722-2
• MDL Number: MFCD00167023; MFCD00167022
• Merck Index: 147631
• PubChem SID: 162091376
• PubChem CID: 9605257

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

• Apperance: Liquid
• Melting Point: 1539 °C; 69-71°C
• Boiling Point: 2735 °C at 1013 hPa
• Auto Ignition Point: > 100 °C
• Density: 1.85; 7.87 g/cm^3 at 25 °C
• Vapor Pressure: ca. .000001 hPa at 25 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 52/53; R:36/37/38
• Safety Statements: 60-61; S:20-25-26-37/39
• EU Hazard Identification Number: 11
• TSCA Listed: 是
• GHS Hazard statements: H402-H412
• GHS Precautionary statements: P273-P501A

Product Information

• Purity: 98.5-102.0%; 98+%
• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02152560

Trihydrate
ACS Reagent Grade
Purity: 98.5-102.0%

REFERENCES

• Replacement for highly toxic metal cyanides in a procedure for cyanation of heteroaryl bromides, utilizing CuI as catalyst in the presence of a suitable ligand, particularly N-alkylimidazoles, e.g. N-(n-Butyl)imidazole, L07793: Synlett, 555 (2007).