trinickel(2+) ion tetrahydroxide carbonate

• ChemBase ID: 302756
• Molecular Formular: CH4Ni3O7
• Molecular Mass: 304.11846
• Monoisotopic Mass: 301.80173117
• SMILES: C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[Ni+2].[Ni+2].[Ni+2]
• Canonical SMILES: [O-]C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[Ni+2].[Ni+2].[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: trinickel(2+) ion tetrahydroxide carbonate
• IUPAC Traditional name: trinickel(2+) ion tetrahydroxide carbonate
• Synonyms: Nickel(II) carbonate (basic) hydrate, Puratronic®; 碳酸镍(II)水合物, Puratronic®

Database IDs

• CAS Number: 155775-31-8
• EC Number: 240-408-8
• MDL Number: MFCD00016262

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

• RTECS: QR6260000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-61-20/22-38-42/43-48/23-68-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H334-H350-H360-H372-H315-H317-H341-H400-H410-H302-H332
• GHS Precautionary statements: P273-P201-P309+P311-P501A

Product Information

• Purity: 99.996% (metals basis)