nickel(2+) ion bis(iminomethanide) tetrahydrate

• ChemBase ID: 303393
• Molecular Formular: C2H8N2NiO4
• Molecular Mass: 182.78932
• Monoisotopic Mass: 181.98374965
• SMILES: [C-]#N.[C-]#N.O.O.O.O.[Ni+2]
• Canonical SMILES: N#[C-].N#[C-].O.O.O.O.[Ni+2]
• InChI: InChI=1S/2CN.Ni.4H2O/c2*1-2;;;;;/h;;;4*1H2/q2*-1;+2
• InChIKey: VHHVAACTKRUWEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis(iminomethanide) tetrahydrate
• IUPAC Traditional name: nickel(2+) ion bis(cyanide) tetrahydrate
• Synonyms: Nickel(II) cyanide tetrahydrate; 氰化镍(II)四水合物

Database IDs

• CAS Number: 13477-95-7
• EC Number: 209-160-8
• MDL Number: MFCD00049490
• Merck Index: 146506

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

• Solubility: Insoluble in water. Soluble in ammonium carbonate, ammonia, alkali cyanides
• Apperance: -100 Mesh Powder
• Melting Point: 200°C -4H{2}O

Safety Information

• RTECS: QR6495000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN1653
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 49-32-42/43-48/23-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS08; GHS09
• GHS Hazard statements: H334-H350-H372-H317-H400-H410
• GHS Precautionary statements: P260-P285-P302+P352-P321-P405-P501A