nickel(2+) ion bis(nickeldiol) hydrate carbonate

• ChemBase ID: 144844
• Molecular Formular: CH6Ni3O8
• Molecular Mass: 322.13374
• Monoisotopic Mass: 319.81229585
• SMILES: C(=O)([O-])[O-].O.O[Ni]O.O[Ni]O.[Ni+2]
• Canonical SMILES: [O-]C(=O)[O-].O[Ni]O.O[Ni]O.O.[Ni+2]
• InChI: InChI=1S/CH2O3.3Ni.5H2O/c2-1(3)4;;;;;;;;/h(H2,2,3,4);;;;5*1H2/q;3*+2;;;;;/p-6
• InChIKey: CCFAFYHXJQHIRV-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis(nickeldiol) hydrate carbonate
• IUPAC Traditional name: nickel(2+) ion bis(nickeldiol) hydrate carbonate
• Synonyms: Nickel carbonate, basic hydrate; 碱式碳酸镍 水合物

Database IDs

• MDL Number: MFCD00150262
• PubChem SID: 162239056; 24878300
• PubChem CID: 16217013

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: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 49-61-20/22-38-42/43-48/23-50/53-68
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H332-H334-H341-H350i-H360D-H372-H410
• GHS Precautionary statements: P201-P261-P273-P280-P308 + P313-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 99.9% (trace metals analysis); 99.9% trace metals basis
• Linear Formula: NiCO3 · 2Ni(OH)2 · xH2O

DETAILS

Sigma Aldrich - 544183

Packaging
1 kg in glass bottle
250 g in poly bottle