dinickel(2+) ion tris(nickeldiol) tetrahydrate dicarbonate

• ChemBase ID: 151172
• Molecular Formular: C2H14Ni5O16
• Molecular Mass: 587.58996
• Monoisotopic Mass: 583.70489887
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O[Ni]O.O[Ni]O.O[Ni]O.[Ni+2].[Ni+2]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].O[Ni]O.O[Ni]O.O[Ni]O.O.O.O.O.[Ni+2].[Ni+2]
• InChI: InChI=1S/2CH2O3.5Ni.10H2O/c2*2-1(3)4;;;;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;10*1H2/q;;5*+2;;;;;;;;;;/p-10
• InChIKey: KWOUKTWMXYFKIW-UHFFFAOYSA-D

NAMES AND DATABASE IDS

Names

• IUPAC name: dinickel(2+) ion tris(nickeldiol) tetrahydrate dicarbonate
• IUPAC Traditional name: dinickel(2+) ion tris(nickeldiol) tetrahydrate dicarbonate
• Synonyms: Nickel(II) carbonate, basic; Nickel(II) carbonate hydroxide tetrahydrate; 碱式碳酸镍(II); [碳酸(2-)]四羟基三镍 四水合物

Database IDs

• CAS Number: 12244-51-8
• MDL Number: MFCD00150875
• PubChem SID: 162245329; 24860677
• PubChem CID: 56846129

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-20/21/22-36/37/38-42/43
• Safety Statements: 53-26-36/37/39-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312 + H332-H315-H317-H319-H334-H335-H350
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Linear Formula: 2NiCO3 · 3Ni(OH)2 · 4H2O

DETAILS

Sigma Aldrich - 339776

Packaging
100, 500 g in poly bottle