iron(3+) ion tripotassium hexakis(iminomethanide)

• ChemBase ID: 129064
• Molecular Formular: C6FeK3N6
• Molecular Mass: 329.2443
• Monoisotopic Mass: 328.84450157
• SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Fe+3]
• Canonical SMILES: N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].[K+].[K+].[K+].[Fe+3]
• InChI: InChI=1S/6CN.Fe.3K/c6*1-2;;;;/q6*-1;+3;3*+1
• InChIKey: BYGOPQKDHGXNCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion tripotassium hexakis(iminomethanide)
• IUPAC Traditional name: iron(3+) ion tripotassium hexakis(cyanide)
• Synonyms: Potassium hexacyanoferrate(III); Potassium hexacyanoferrate(III), ACS; Prussian red; Potassium ferricyanide; Potassium ferricyanide; Red prussiate; 六氰基铁(III)酸钾; 六氰合铁(III)钾, ACS

Database IDs

• CAS Number: 13746-66-2
• EC Number: 237-323-3
• MDL Number: MFCD00011392
• Merck Index: 147630
• PubChem SID: 162223364
• PubChem CID: 26250; 6093276
• Wikipedia Title: Potassium_ferricyanide

CALCULATED PROPERTIES

• Acid pKa: 9.5
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.34610683
• LogD (pH = 7.4): -0.33904728
• Log P: -0.34619832
• Molar Refractivity: 15.8149 cm^3
• Polarizability: 2.6105857 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 330 g/L ("cold water"); 464 g/L (20°C); 775 g/L ("hot water"); slightly soluble in alcohol ; soluble in acid
• Apperance: Crystalline; deep red crystals
• Melting Point: 300°C; dec.
• Boiling Point: decomp.
• Flash Point: Non-flammable
• Density: 1.89; 1.89 g/cm^3, solid

Safety Information

• Storage Warning: Light Sensitive
• RTECS: LJ8225000
• Risk Statements: 32; R20, R21, R22, R32
• Safety Statements: S26, S36
• TSCA Listed: 是
• EU Index: Not listed
• GHS Hazard statements: H303
• GHS Precautionary statements: P312

Product Information

• Purity: 98+%; 99.0% min