barium(2+) ion dioxomanganesebis(olate)

• ChemBase ID: 147496
• Molecular Formular: BaMnO4
• Molecular Mass: 256.262649
• Monoisotopic Mass: 256.82295058
• SMILES: [O-][Mn](=O)(=O)[O-].[Ba+2]
• Canonical SMILES: [O-][Mn](=O)(=O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.Mn.4O/q+2;;;;2*-1
• InChIKey: ZZCNKSMCIZCVDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion dioxomanganesebis(olate)
• IUPAC Traditional name: barium(2+) ion manganate
• Synonyms: Barium manganate; Manganese green; 锰酸钡; 钡锰酸盐

Database IDs

• CAS Number: 7787-35-1
• EC Number: 232-109-6
• MDL Number: MFCD00011514
• Merck Index: 14981
• PubChem SID: 162241684; 24847350; 24852621
• PubChem CID: 3084030

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -6.720884
• LogD (pH = 7.4): -7.0465326
• Log P: -2.5252
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 6.2767935 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: insoluble
• Apperance: powder and chunks
• Density: 4.85 g/mL at 25 °C(lit.); 4.850

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Oxidising (O); X; Harmful (Xn)
• UN Number: 1479; UN3087
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 2; III
• Risk Statements: 20/22; 8-20/22
• Safety Statements: 28; 9-17-36
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H302-H332; H272-H331-H302
• GHS Precautionary statements: P220; P221-P210-P220-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: ≥90% (calc. on dry substances, RT); 90%; tech. 90%
• Grade: technical; technical grade
• Impurities: ≤2% water
• Empirical Formula (Hill Notation): BaMnO4

DETAILS

Sigma Aldrich - 210196

Packaging
5, 25, 100 g in glass bottle
Application
Useful for the selective oxidation of diols.1

Sigma Aldrich - 11786

Other Notes
Efficient oxidizing agent for conversion of primary and secondary alcohols to carbonyl compounds1,2; Oxidation of aromatic amines3

REFERENCES

• Supported on alumina with copper(II) sulfate, benzylic, allylic and saturated secondary alcohols can be selectively oxidized in the presence of a saturated primary alcohol: Tetrahedron Lett., 30, 2559 (1989).
• Reagent for the oxidation of primary and secondary alcohols to carbonyls: Tetrahedron Lett ., 839 (1978). Superior to manganese dioxide for the oxidation of a secondary allylic alcohol to the ketone: Synth. Commun., 9, 771 (1979), and also for the dehydrogenation of 2-imidazolines to imidazoles: Synthesis, 489 (1980).