cobalt(2+) ion diammonium hexahydrate disulfate

• ChemBase ID: 109455
• Molecular Formular: CoH20N2O14S2
• Molecular Mass: 395.227
• Monoisotopic Mass: 394.96879033
• SMILES: [NH4+].[NH4+].O.O.O.O.O.O.[Co+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+].[NH4+].O.O.O.O.O.O.[Co+2]
• InChI: InChI=1S/Co.2H3N.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;2*(H2,1,2,3,4);6*1H2/q+2;;;;;;;;;;/p-2
• InChIKey: YUWDLEMDFQMDIE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion diammonium hexahydrate disulfate; λ^2-cobalt(2+) ion diammonium hexahydrate disulfate
• IUPAC Traditional name: cobalt(2+) diammonium hexahydrate disulfate; λ^2-cobalt(2+) ion diammonium hexahydrate disulfate
• Synonyms: COBALTOUS AMMONIUM SULFATE HEXAHYDRATE; Cobalt(II) ammonium sulfate; Cobaltous ammonium sulfate; Ammonium cobalt(II) sulfate hexahydrate; 六水合硫酸钴(II)铵

Database IDs

• CAS Number: 13596-46-8; 13586-38-4
• EC Number: 237-043-1
• MDL Number: MFCD00151049
• PubChem SID: 162095295
• PubChem CID: 24884270

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 120°C dec.
• Density: 1.902

Safety Information

• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 22-43-50/53; R:40-42/43-68
• Safety Statements: 24-36/37-60-61; S:22-29-36/37/39-46-53
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H301-H317-H400-H410
• GHS Precautionary statements: P261-P301+P310-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%