λ2-iron(2+) ion tetrapotassium hexakis(iminomethanide) trihydrate

• ChemBase ID: 303163
• Molecular Formular: C6H6FeK4N6O3
• Molecular Mass: 422.38844
• Monoisotopic Mass: 421.8399023
• SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.[K+].[K+].[K+].[K+].[Fe+2]
• Canonical SMILES: N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].O.O.O.[K+].[K+].[K+].[K+].[Fe+2]
• InChI: InChI=1S/6CN.Fe.4K.3H2O/c6*1-2;;;;;;;;/h;;;;;;;;;;;3*1H2/q6*-1;+2;4*+1
• InChIKey: UTYXJYFJPBYDKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion tetrapotassium hexakis(iminomethanide) trihydrate
• IUPAC Traditional name: λ^2-iron(2+) ion tetrapotassium hexakis(cyanide) trihydrate
• Synonyms: Potassium hexacyanoferrate(II) trihydrate, ACS; 六氰合铁(II)钾三水合物, ACS

Database IDs

• CAS Number: 14459-95-1
• EC Number: 237-722-2
• MDL Number: MFCD00167023
• Merck Index: 147631

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

• Apperance: Crystalline
• Melting Point: 69-71°C
• Density: 1.85

Safety Information

• Risk Statements: 52/53
• Safety Statements: 60-61
• TSCA Listed: 是
• GHS Hazard statements: H402-H412
• GHS Precautionary statements: P273-P501A

Product Information

• Purity: 98.5-102.0%