nickel(2+) ion bis(nickeldiol) carbonate

• ChemBase ID: 152134
• Molecular Formular: CH4Ni3O7
• Molecular Mass: 304.11846
• Monoisotopic Mass: 301.80173117
• SMILES: C(=O)([O-])[O-].O[Ni]O.O[Ni]O.[Ni+2]
• Canonical SMILES: [O-]C(=O)[O-].O[Ni]O.O[Ni]O.[Ni+2]
• InChI: InChI=1S/CH2O3.3Ni.4H2O/c2-1(3)4;;;;;;;/h(H2,2,3,4);;;;4*1H2/q;3*+2;;;;/p-6
• InChIKey: ATYNVYNPWGEMMI-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 12607-70-4
• EC Number: 235-715-9
• MDL Number: MFCD00016262
• PubChem SID: 24886375; 162246279; 24886374
• PubChem CID: 25559

CALCULATED PROPERTIES

• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• 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

PROPERTIES

Safety Information

• RTECS: QR6250000
• 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: ~46% Ni basis (KT); 23-28% Ni basis; 48-50% Ni basis (KT)
• Grade: purum p.a.; technical
• Impurities: ~5% sodium sulfate
• Cation Traces: As: ≤10 mg/kg; Ca: ≤100 mg/kg; Cd: ≤10 mg/kg; Cd: ≤50 mg/kg; Co: ≤500 mg/kg; Co: ≤5000 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤50 mg/kg; Na: ≤2000 mg/kg; Na: ≤5000 mg/kg; Pb: ≤10 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤200 mg/kg; sulfate (SO42-): ≤200 mg/kg
• Quality: moistened
• Linear Formula: ~NiCO3 · 2Ni(OH)2 · 4H2O

DETAILS

Sigma Aldrich - 72251

Packaging
1 kg in poly bottle

Sigma Aldrich - 72248

Packaging
1 kg in poly bottle
250 g in poly bottle