1,2-dioxa-3-nickelacyclopropane hydrate

• ChemBase ID: 145063
• Molecular Formular: H2NiO3
• Molecular Mass: 108.70748
• Monoisotopic Mass: 107.93573682
• SMILES: O.O1O[Ni]1
• Canonical SMILES: [Ni]1OO1.O
• InChI: InChI=1S/Ni.O2.H2O/c;1-2;/h;;1H2/q+2;-2
• InChIKey: WFGXJOHFKNQUMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dioxa-3-nickelacyclopropane hydrate
• IUPAC Traditional name: 1,2-dioxa-3-nickelacyclopropane hydrate
• Synonyms: Nickel(II) peroxide hydrate; 过氧化镍(II) 水合物

Database IDs

• CAS Number: 86676-91-7
• EC Number: 215-217-8
• MDL Number: MFCD00171392
• PubChem SID: 162239273; 24862401
• PubChem CID: 71311140

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2076
• LogD (pH = 7.4): -0.2076
• Log P: -0.2076
• Molar Refractivity: 2.7004 cm^3
• Polarizability: 5.077428 Å^3
• Polar Surface Area: 25.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 1483
• German water hazard class: 3
• 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 1483 5.1/PG 2

Product Information

• Empirical Formula (Hill Notation): NiO2 · xH2O

DETAILS

Sigma Aldrich - 367192

Packaging
1, 10, 50 g in glass bottle