manganese(4+) ion dioxidandiide

• ChemBase ID: 295174
• Molecular Formular: MnO2
• Molecular Mass: 86.936849
• Monoisotopic Mass: 86.92787434
• SMILES: [O-2].[O-2].[Mn+4]
• Canonical SMILES: [O-2].[O-2].[Mn+4]
• InChI: InChI=1S/Mn.2O/q+4;2*-2
• InChIKey: GOPYZMJAIPBUGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(4+) ion dioxidandiide
• IUPAC Traditional name: manganese(4+) ion dioxidandiide
• Synonyms: Manganese dioxide; Manganese(IV) oxide; Manganese(IV) oxide, Puratronic®; Manganese peroxide; Manganese(IV) oxide, activated, tech.; Manganese black; Manganese superoxide; 二氧化锰(IV); 二氧化锰, Puratronic®; 二氧化锰, activated, tech.

Database IDs

• CAS Number: 1313-13-9
• EC Number: 215-202-6
• MDL Number: MFCD00003463
• Merck Index: 145730
• PubChem SID: 180680705
• PubChem CID: 10197621

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water, nitric acid, sulfuric acid. Soluble in HCl. In presence of hydrogen peroxide or oxalic acid soluble in dilute HNO3 and H2SO4
• Apperance: -325 Mesh Powder; Powder
• Melting Point: 535°C dec.
• Density: 5.026

Safety Information

• RTECS: OP0350000
• European Hazard Symbols: X
• Risk Statements: 20/22
• Safety Statements: 25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A

Product Information

• Purity: 98%; 99.9% (metals basis); 99.997% (metals basis); Mn 58% min

REFERENCES

• Mild oxidizing agent. For reviews, see: Synthesis, 65, 133 (1976); J. Prakt. Chem./ Chem. Ztg., 337, 75 (1995). See also M. Hudlicky, Oxidations in Organic Chemistry, ACS Monograph 186, Washington DC (1990).
• Widely used for the selective oxidation of allylic and benzylic alcohols to aldehydes or ketones. See, e.g.: Org. Synth. Coll., 7, 102 (1990); 9, 136 (1998).
• For use as a co-oxidant, in combination with 1,4-benzoquinone, in the allylic oxidation of olefins, catalyzed by Palladium(II) acetate, 10516, see: Org. Synth. Coll., 8, 5, 137 (1993).