oxo[(oxonickelio)oxy]nickel

• ChemBase ID: 151985
• Molecular Formular: Ni2O3
• Molecular Mass: 165.385
• Monoisotopic Mass: 163.85542966
• SMILES: O=[Ni]O[Ni]=O
• Canonical SMILES: O=[Ni]O[Ni]=O
• InChI: InChI=1S/2Ni.3O
• InChIKey: PZFKDUMHDHEBLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxo[(oxonickelio)oxy]nickel
• IUPAC Traditional name: oxo[(oxonickelio)oxy]nickel
• Synonyms: Nickel dioxide; Nickel oxide; Nickel peroxide; 过氧化镍

Database IDs

• CAS Number: 12035-36-8
• EC Number: 234-823-3
• MDL Number: MFCD00011143
• PubChem SID: 24886379; 162246131
• PubChem CID: 10855842

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.9316
• LogD (pH = 7.4): -1.9316
• Log P: -1.9316
• Molar Refractivity: 4.236 cm^3
• Polarizability: 9.124384 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 1479
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 49-43-48/23-53
• Safety Statements: 53-45-61
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H350i-H372-H413
• GHS Precautionary statements: P201-P280-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: ~30% active peroxide basis
• Grade: oxidizing agent; technical
• Empirical Formula (Hill Notation): NiO2

DETAILS

Sigma Aldrich - 72262

Other Notes
Oxidant for the transformation of alcohols into acids and hydrazones into diazoalkanes6,7
Packaging
5 g in poly bottle
Application
Catalyst for:
• One-dimensional oxide-metal hybrid structures and site-specific enhanced reactivity for CO oxidation1
• Microwave induced catalytic degradation of crystal violet2Used to study differences in reactivity trends for carbon monoxide catalyzed oxidation caused by anionic transition metal oxide clusters3Reagent:
• For solvent-free oxidation of alcohols†
• For chemoselective oxidation of organic compounds using inductive heating4
• To improve the synthesis of methoxy cephalosporin′s intermediate5