dipotassium tricyanocobaltuide tricyanoironuide

• ChemBase ID: 158515
• Molecular Formular: C6CoFeK2N6
• Molecular Mass: 349.0792
• Monoisotopic Mass: 348.81398989
• SMILES: C(#N)[Fe-](C#N)C#N.C(#N)[Co-](C#N)C#N.[K+].[K+]
• Canonical SMILES: N#C[Fe-](C#N)C#N.N#C[Co-](C#N)C#N.[K+].[K+]
• InChI: InChI=1S/6CN.Co.Fe.2K/c6*1-2;;;;/q;;;;;;2*-1;2*+1
• InChIKey: RQSKDNCGWSPTCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium tricyanocobaltuide tricyanoironuide
• IUPAC Traditional name: dipotassium tricyanocobaltuide tricyanoironuide
• Synonyms: Dipotassium hexacyanocobalt(II)-ferrate(II); Potassium hexacyanocobalt(II)-ferrate(II); 六氰基钴高铁酸钾; 六氰基钴(II)铁(II)酸钾

Database IDs

• CAS Number: 12549-23-4
• MDL Number: MFCD00077807
• PubChem SID: 162252651; 24881832
• PubChem CID: 71312649

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.0703
• LogD (pH = 7.4): 0.0703
• Log P: 0.0703
• Molar Refractivity: 19.9668 cm^3
• Polarizability: 9.472534 Å^3
• Polar Surface Area: 71.37 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% (KT)
• Grade: purum p.a.
• Particle Size: 30-60 mesh
• Linear Formula: K2[CoFe(CN)6]

DETAILS

Sigma Aldrich - 60313

Other Notes
Compound used for the ion-exchange absorption of cesium ions1,2,3