magnesium(2+) ion hexahydrate sulfate

• ChemBase ID: 158111
• Molecular Formular: H12MgO10S
• Molecular Mass: 228.45928
• Monoisotopic Mass: 228.00015928
• SMILES: O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Mg+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].O.O.O.O.O.O.[Mg+2]
• InChI: InChI=1S/Mg.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2
• InChIKey: CCMVPFWAIAFRIH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion hexahydrate sulfate
• IUPAC Traditional name: magnesium(2+) ion hexahydrate sulfate
• Synonyms: Magnesium sulfate hexahydrate; 硫酸镁 六水合物

Database IDs

• CAS Number: 17830-18-1
• EC Number: 231-298-2
• MDL Number: MFCD00149786
• PubChem SID: 162252247; 24844880
• PubChem CID: 22138113

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

• pH: 5-8 (20 °C, 5% in H2O)

Safety Information

• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0%; ≥99.0% (KT)
• Grade: puriss. p.a.
• Impurities: ≤0.0005% heavy metals (as Pb)
• Cation Traces: Ca: ≤50 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; NH4+: ≤20 mg/kg; Zn: ≤20 mg/kg
• Antion Traces: chloride (Cl-): ≤5 mg/kg; nitrate (NO3-): ≤20 mg/kg
• Linear Formula: MgSO4 · 6H2O