dipotassium tetracyanonickeldiuide hydrate

• ChemBase ID: 150544
• Molecular Formular: C4H2K2N4NiO
• Molecular Mass: 258.97488
• Monoisotopic Mass: 257.88561696
• SMILES: C(#N)[Ni-2](C#N)(C#N)C#N.O.[K+].[K+]
• Canonical SMILES: N#C[Ni-2](C#N)(C#N)C#N.O.[K+].[K+]
• InChI: InChI=1S/4CN.2K.Ni.H2O/c4*1-2;;;;/h;;;;;;;1H2/q;;;;2*+1;-2
• InChIKey: LORCEWUZCQZQEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium tetracyanonickeldiuide hydrate
• IUPAC Traditional name: dipotassium tetracyanonickelate(2-) hydrate
• Synonyms: Dipotassium nickel(2+) tetracyanide; Potassium tetracyanonickelate(II) hydrate; Potassium nickel cyanide; 四氰基镍(II)酸钾 水合物; 四氰基镍(II)酸钾水合物

Database IDs

• CAS Number: 339527-86-5
• EC Number: 238-082-7
• MDL Number: MFCD00150396; MFCD00049669
• Merck Index: 147684
• PubChem SID: 24865979; 162244705
• PubChem CID: 16212683

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.2836
• LogD (pH = 7.4): -0.2836
• Log P: -0.2836
• Molar Refractivity: 26.6224 cm^3
• Polarizability: 11.718886 Å^3
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Crystalline; powder
• Melting Point: 100°C -H{2}O
• Density: 1.875; 1.875 g/mL(lit.)
• Vapor Pressure: 740 mmHg ( 25 °C)(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T); Highly toxic (T+)
• UN Number: 1588; UN1588
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; III
• Risk Statements: 26/27/28-32-50/53; 49-22-31-42/43
• Safety Statements: 53-45; 7-28-29-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300 +H310 + H330-H410; H301-H317-H334-H350
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310; P285-P301+P310-P302+P352-P321-P405-P501A
• RID/ADR: UN 1588 6.1/PG 2
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Compostion: Degree of hydration, ~5
• Linear Formula: K2Ni(CN)4 · xH2O

DETAILS

Sigma Aldrich - 415154

Packaging
100 g in poly bottle