λ2-iron(2+) ion oxotitaniumbis(olate)

• ChemBase ID: 145936
• Molecular Formular: FeO3Ti
• Molecular Mass: 151.7102
• Monoisotopic Mass: 151.86762766
• SMILES: [O-][Ti](=O)[O-].[Fe+2]
• Canonical SMILES: [O-][Ti](=O)[O-].[Fe+2]
• InChI: InChI=1S/Fe.3O.Ti/q+2;;2*-1
• InChIKey: WIBXORLWTCPWFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion oxotitaniumbis(olate)
• IUPAC Traditional name: λ^2-iron(2+) ion oxotitaniumbis(olate)
• Synonyms: Iron(II) titanate; 钛酸铁(II)

Database IDs

• CAS Number: 12022-71-8
• EC Number: 234-667-6
• MDL Number: MFCD00064704
• PubChem SID: 162240136; 24864961
• PubChem CID: 71311195

CALCULATED PROPERTIES

• Acid pKa: 2.69897
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.578295
• LogD (pH = 7.4): -3.7371097
• Log P: -1.4238
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 5.2817564 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38-40
• Safety Statements: 22-26-36
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335-H351
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9%
• Particle Size: -100 mesh
• Linear Formula: FeTiO3

DETAILS

Sigma Aldrich - 400874

Packaging
100 g in glass bottle
25 g in poly bottle