iron(3+) ion triethanolate

• ChemBase ID: 303624
• Molecular Formular: C6H15FeO3
• Molecular Mass: 191.0265
• Monoisotopic Mass: 191.03705684
• SMILES: CC[O-].CC[O-].CC[O-].[Fe+3]
• Canonical SMILES: [O-]CC.[O-]CC.[O-]CC.[Fe+3]
• InChI: InChI=1S/3C2H5O.Fe/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
• InChIKey: JTPUGUWXHGEEHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion triethanolate
• IUPAC Traditional name: iron(3+) ion tris(ethoxide)
• Synonyms: Iron(III) ethoxide; 乙氧基铁(III)

Database IDs

• CAS Number: 5058-42-4
• EC Number: 225-760-2
• MDL Number: MFCD00078028

CALCULATED PROPERTIES

• Acid pKa: 16.470615
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.1617691
• LogD (pH = 7.4): -0.1617691
• Log P: -0.1617691
• Molar Refractivity: 23.5602 cm^3
• Polarizability: 4.748913 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in anhydrous hexane, alcohols
• Apperance: Powder/Chunk, Packaged under argon
• Melting Point: 120°C
• Boiling Point: 155°C/0.1mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P280G-P305+P351+P338-P337+P313

Product Information

• Purity: 99.6% (metals basis)