λ2-cobalt(2+) ion sulfuric acid diamine hexahydrate sulfate

• ChemBase ID: 151103
• Molecular Formular: CoH20N2O14S2
• Molecular Mass: 395.227
• Monoisotopic Mass: 394.96879033
• SMILES: N.N.O.O.O.O.O.O.OS(=O)(=O)O.[O-]S(=O)(=O)[O-].[Co+2]
• Canonical SMILES: OS(=O)(=O)O.[O-]S(=O)(=O)[O-].N.N.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: λ^2-cobalt(2+) ion sulfuric acid diamine hexahydrate sulfate
• IUPAC Traditional name: λ^2-cobalt(2+) ion sulfuric acid diamine hexahydrate sulfate
• Synonyms: Ammonium cobalt(II) sulfate hexahydrate; 硫酸钴(II)铵 六水合物

Database IDs

• CAS Number: 13586-38-4
• EC Number: 237-043-1
• MDL Number: MFCD00151049
• PubChem SID: 24873112; 162245261
• PubChem CID: 56846376

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals and lumps
• Melting Point: 120 °C (dec.)(lit.)
• Density: 1.902 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/22-36/37/38-43
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H332-H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 99%
• Linear Formula: (NH4)2Co(SO4)2 · 6H2O

DETAILS

Sigma Aldrich - 497363

Packaging
25 g in glass bottle