ironoylol

• ChemBase ID: 127872
• Molecular Formular: FeHO2
• Molecular Mass: 88.85174
• Monoisotopic Mass: 88.93259177
• SMILES: O=[Fe]O
• Canonical SMILES: O[Fe]=O
• InChI: InChI=1S/Fe.H2O.O/h;1H2;/q+1;;/p-1
• InChIKey: AEIXRCIKZIZYPM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ironoylol
• IUPAC Traditional name: iron(III) oxide-hydroxide
• Synonyms: Iron(III) hydroxide, gamma-phase; Iron(III) oxyhydroxide; Goethite; Iron(III) hydroxide, alpha-phase; Iron(III) oxide; Goethite; Ferric acid; Iron(III) oxide-hydroxide; Ferric hydroxide oxide; Iron(III) oxide; 水合氧化铁(III), γ-相; 氢氧化铁(III)氧化物,α-相; 氧化铁(III); 针铁矿; 水合氧化铁(III); 氧化铁(III)

Database IDs

• CAS Number: 20344-49-4; 1310-14-1
• EC Number: 243-746-4; 215-176-6
• MDL Number: MFCD00064782
• Merck Index: 144025
• PubChem SID: 24863095; 162222189; 24886144
• PubChem CID: 91502
• Chemspider ID: 82623
• MeSH Name: Goethite
• Wikipedia Title: Iron(III)_oxide-hydroxide

CALCULATED PROPERTIES

• Acid pKa: 3.0
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5539775
• LogD (pH = 7.4): -2.748255
• Log P: -0.4876
• Molar Refractivity: 4.0075 cm^3
• Polarizability: 4.9230433 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.115 g/100 mL (20 °C) in water; Insoluble in water and alcohol. Soluble in mineral acids
• Apperance: -60 Mesh Powder; powder; Powder; Vivid, dark orange, opaque crystals
• Melting Point: 135°C dec.
• Density: 3.4-3.9; 4.25 g/cm^3
• Odor: odorless
• Solubility Product (Ksp): 2.79×10^-39 for Fe(OH)₃

Safety Information

• German water hazard class: nwg
• TSCA Listed: 是
• NFPA704:
  

  0

  1

  0
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Concentration: ~35% Fe
• Grade: catalyst grade
• Particle Size: 30-50 mesh
• Linear Formula: Fe(OH)O

DETAILS

Sigma Aldrich - 71063

Application
adsorbent
General description
contains varying amounts of MgO2, SiO2, CaO, Al2O3
Packaging
100 g in poly bottle

Sigma Aldrich - 371254

Packaging
50, 250 g in poly bottle