tetrasodium hexacyanoirontetrauide decahydrate

• ChemBase ID: 158767
• Molecular Formular: C6H20FeN6Na4O10
• Molecular Mass: 484.06128
• Monoisotopic Mass: 484.01810549
• SMILES: C(#N)[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/6CN.Fe.4Na.10H2O/c6*1-2;;;;;;;;;;;;;;;/h;;;;;;;;;;;10*1H2/q;;;;;;-4;4*+1
• InChIKey: KJSGVRTUMXJODL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium hexacyanoirontetrauide decahydrate
• IUPAC Traditional name: tetrasodium ferrocyanide decahydrate
• Synonyms: Tetrasodium hexacyanoferrate decahydrate; Sodium hexacyanoferrate(II); Sodium ferrocyanide decahydrate; 六氰基铁(II)酸钠; 亚铁氰化钠 十水合物

Database IDs

• CAS Number: 14434-22-1
• MDL Number: MFCD00149274
• PubChem SID: 162252903; 24848141
• PubChem CID: 61742

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

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0%; ≥99%
• Grade: purum
• Antion Traces: chloride (Cl-): ≤200 mg/kg; sulfate (SO42-): ≤100 mg/kg
• Linear Formula: Na4Fe(CN)6 · 10H2O