λ2-iron(2+) ion dimethanolate

• ChemBase ID: 303096
• Molecular Formular: C2H6FeO2
• Molecular Mass: 117.91284
• Monoisotopic Mass: 117.97171693
• SMILES: C[O-].C[O-].[Fe+2]
• Canonical SMILES: C[O-].C[O-].[Fe+2]
• InChI: InChI=1S/2CH3O.Fe/c2*1-2;/h2*1H3;/q2*-1;+2
• InChIKey: VAPRHKOWFRYFTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion dimethanolate
• IUPAC Traditional name: λ^2-iron(2+) ion bis(methoxide)
• Synonyms: Iron(II) methoxide; 甲氧基亚铁(II)

Database IDs

• CAS Number: 7245-21-8
• MDL Number: MFCD00061474

CALCULATED PROPERTIES

• Acid pKa: 15.775593
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.51857704
• LogD (pH = 7.4): -0.5185771
• Log P: -0.51857704
• Molar Refractivity: 18.8116 cm^3
• Polarizability: 2.9253356 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder, Packaged under argon

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Flammable (F); X
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-22-36/37/38
• Safety Statements: 16-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H302-H315-H319-H335
• GHS Precautionary statements: P210-P280H-P305+P351+P338-P337+P313

Product Information

• Purity: 98%