λ2-iron(2+) ion diacetate

• ChemBase ID: 127859
• Molecular Formular: C4H6FeO4
• Molecular Mass: 173.93304
• Monoisotopic Mass: 173.96154617
• SMILES: [Fe+2].[O-]C(=O)C.[O-]C(=O)C
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Fe+2]
• InChI: InChI=1S/2C2H4O2.Fe/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: LNOZJRCUHSPCDZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion diacetate
• IUPAC Traditional name: λ^2-iron(2+) ion diacetate
• Synonyms: Iron(II) acetate, anhydrous; Ferrous acetate; Iron(II) acetate; 醋酸亚铁(II), 无水

Database IDs

• CAS Number: 3094-87-9
• EC Number: 221-441-7
• MDL Number: MFCD00058909
• PubChem SID: 162222176
• PubChem CID: 18344; 161387
• Chemspider ID: 17323
• Wikipedia Title: Iron(II)_acetate

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Very soluble
• Apperance: Powder/Lump
• Melting Point: 190–200 °C (dec); 190-200°C dec.

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• NFPA704:
  

  0

  2

  0
• LD50: 492 mg/kg scu-rat
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; Fe 29.5% min