magnesium(2+) ion hydrate sulfate

• ChemBase ID: 140253
• Molecular Formular: H2MgO5S
• Molecular Mass: 138.38288
• Monoisotopic Mass: 137.94733586
• SMILES: O.[O-]S(=O)(=O)[O-].[Mg+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].O.[Mg+2]
• InChI: InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2
• InChIKey: LFCFXZHKDRJMNS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion hydrate sulfate
• IUPAC Traditional name: magnesium(2+) ion hydrate sulfate
• Synonyms: Kieserite; Magnesium sulfate monohydrate; 水镁矾; 硫酸镁 一水合物

Database IDs

• CAS Number: 14168-73-1
• EC Number: 231-298-2
• MDL Number: MFCD00149787
• PubChem SID: 162234497; 24867179; 24882421
• PubChem CID: 16211255

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

• Apperance: powder
• Melting Point: 150 °C (dec.)(lit.)
• Density: 2.57 g/mL at 25 °C(lit.)

Safety Information

• RTECS: OM4500000
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (KT); 97%
• Grade: purum
• Linear Formula: MgSO4 · H2O

DETAILS

Sigma Aldrich - 434183

Packaging
1 kg in poly bottle
500 g in poly bottle