magnesium(2+) ion diformate

• ChemBase ID: 157671
• Molecular Formular: C2H2MgO4
• Molecular Mass: 114.33988
• Monoisotopic Mass: 113.98035024
• SMILES: C(=O)[O-].C(=O)[O-].[Mg+2]
• Canonical SMILES: [O-]C=O.[O-]C=O.[Mg+2]
• InChI: InChI=1S/2CH2O2.Mg/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
• InChIKey: GMDNUWQNDQDBNQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion diformate
• IUPAC Traditional name: magnesium(2+) ion diformate
• Synonyms: Formic acid magnesium salt; Magnesium formate dihydrate; 甲酸镁 二水合物

Database IDs

• CAS Number: 6150-82-9
• EC Number: 209-173-9
• MDL Number: MFCD00150512
• Beilstein Number: 3725251
• PubChem SID: 162251808; 24845074
• PubChem CID: 68404

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (RT)
• Cation Traces: Ca: ≤5000 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤500 mg/kg; Na: ≤5000 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤1000 mg/kg; sulfate (SO42-): ≤1000 mg/kg
• Product Line: BioXtra
• Empirical Formula (Hill Notation): C2H2MgO4 · 2H2O

DETAILS

Sigma Aldrich - 00793

Application
Magnesium formate dehydrate, or formic acid magnesium salt, has been used in studies to develop a multiresidue method for determining pesticides in fruits and vegetables, as well as for the simultaneous determination of tropane alkaloids and glycoalkaloids in grains and seeds.