hexakis(oxo[(oxoferrio)oxy]iron); oxobarium

• ChemBase ID: 141968
• Molecular Formular: BaFe12O19
• Molecular Mass: 1111.4556
• Monoisotopic Mass: 1113.02787478
• SMILES: O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.O=[Ba]
• Canonical SMILES: O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.O=[Fe]O[Fe]=O.[Ba]=O
• InChI: InChI=1S/Ba.12Fe.19O
• InChIKey: AJCDFVKYMIUXCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexakis(oxo[(oxoferrio)oxy]iron); oxobarium
• IUPAC Traditional name: barium oxide; hexakis(ferric oxide)
• Synonyms: Barium dodecairon nonadecaoxide; Barium iron oxide; Barium ferrite; 十九氧化钡十二铁; 铁酸盐钡; 钡铁氧体

Database IDs

• CAS Number: 12047-11-9
• EC Number: 234-974-5
• MDL Number: MFCD00075637
• PubChem SID: 162236200; 24882871
• PubChem CID: 16217742

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3684
• LogD (pH = 7.4): 0.3684
• Log P: 0.3684
• Molar Refractivity: 4.236 cm^3
• Polarizability: 8.774179 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: nanopowder; powder

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1564
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/22
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H302 + H332
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1564 6.1/PG 3

Product Information

• Purity: >97% trace metals basis; 98%
• Particle Size: <100 nm (BET); -325 mesh
• Linear Formula: BaFe12O19

DETAILS

Sigma Aldrich - 637602

Packaging
25 g in glass bottle

Sigma Aldrich - 383295

Packaging
1 kg in glass bottle
250 g in glass bottle
Specificity
May contain varying amounts of oxide.