tripotassium hexacyanocobalttriuide

• ChemBase ID: 137882
• Molecular Formular: C6CoK3N6
• Molecular Mass: 332.3325
• Monoisotopic Mass: 331.84275907
• SMILES: C(#N)[Co-3](C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+]
• Canonical SMILES: N#C[Co-3](C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+]
• InChI: InChI=1S/6CN.Co.3K/c6*1-2;;;;/q;;;;;;-3;3*+1
• InChIKey: VSUFNKULKBVQQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tripotassium hexacyanocobalttriuide
• IUPAC Traditional name: tripotassium hexacyanocobaltate (III)
• Synonyms: Tripotassium hexacyanocobaltate(III); Potassium hexacyanocobaltate(III); 六氰基钴(III)酸钾; 六氰基钴(III)酸钾; 钴氰化钾

Database IDs

• CAS Number: 13963-58-1
• EC Number: 237-742-1
• MDL Number: MFCD00011391
• Merck Index: 147637
• PubChem SID: 162232143; 24847882; 24881826; 24853076
• PubChem CID: 21941222

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.0594
• LogD (pH = 7.4): -1.0594
• Log P: -1.0594
• Molar Refractivity: 39.9336 cm^3
• Polarizability: 15.804172 Å^3
• Polar Surface Area: 142.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water and acetic acid solutions. Insoluble in alcohol
• Apperance: Crystalline
• Melting Point: dec.
• Density: 1.878 g/mL at 25 °C(lit.); 1.906

Safety Information

• RTECS: GF9470000
• European Hazard Symbols: Toxic (T); X
• UN Number: 1588
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 20/21/22-40-43; 23/24/25
• Safety Statements: 7/9-28-36/37-45; 9-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331; H311-H302-H332-H317-H351
• GHS Precautionary statements: P261-P280-P301 + P310-P311; P261-P361-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1588 6.1/PG 2

Product Information

• Purity: ≥95.0% (T); ≥97.0%; 90+%
• Grade: purum
• Impurities: ≤0.1% free cyanide
• Cation Traces: Fe: ≤50 mg/kg
• Antion Traces: sulfate (SO42-): ≤500 mg/kg
• Alkalinity: ≤0.15 meq/g
• Linear Formula: K3Co(CN)6

DETAILS

Sigma Aldrich - 218642

Application
Applied in formation of a xerogel via a cyanogel the gel has potential use in solid-state gas sensors.1