(acetyloxy)nickelio acetate tetrahydrate

• ChemBase ID: 145692
• Molecular Formular: C4H14NiO8
• Molecular Mass: 248.84256
• Monoisotopic Mass: 248.00421031
• SMILES: CC(=O)O[Ni]OC(=O)C.O.O.O.O
• Canonical SMILES: CC(=O)O[Ni]OC(=O)C.O.O.O.O
• InChI: InChI=1S/2C2H4O2.Ni.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2
• InChIKey: OINIXPNQKAZCRL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)nickelio acetate tetrahydrate
• IUPAC Traditional name: tetrahydrate nickel acetate
• Synonyms: Acetic acid nickel(II) salt; Nickel(II) acetate tetrahydrate; 乙酸 镍(II) 盐; 乙酸镍(II) 四水合物

Database IDs

• CAS Number: 6018-89-9
• EC Number: 206-761-7
• MDL Number: MFCD00066973
• Beilstein Number: 3730764
• PubChem SID: 162239895; 24863697; 24855057; 24854649; 24886370
• PubChem CID: 16211677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.8634
• LogD (pH = 7.4): -0.8634
• Log P: -0.8634
• Molar Refractivity: 23.4322 cm^3
• Polarizability: 13.199559 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Density: 1.798 g/mL at 25 °C(lit.)

Safety Information

• RTECS: QR6126000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• German water hazard class: 3
• Risk Statements: 49-61-20/22-42/43-48/23-50/53-68
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H317-H332-H334-H341-H350i-H360-H372-H410
• GHS Precautionary statements: P201-P261-P273-P280-P308 + P313-P501
• 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

Product Information

• Purity: ≥98%; ≥99.0% (KT); 98%; 99.998% trace metals basis
• Grade: purum p.a.
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤1000 mg/kg; Cu: ≤50 mg/kg; Fe: ≤100 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Na: ≤1000 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤50 mg/kg
• Linear Formula: Ni(OCOCH3)2 · 4H2O

DETAILS

Sigma Aldrich - 379883

Application
Used in synthesis of polynuclear-nickel polyoxotungstate cluster compounds that are ideal for the design of molecular magnets.1
Packaging
10, 50 g in poly bottle

Sigma Aldrich - 72225

Application
Used in synthesis of polynuclear-nickel polyoxotungstate cluster compounds that are ideal for the design of molecular magnets.1

Sigma Aldrich - 244066

Application
Used in synthesis of polynuclear-nickel polyoxotungstate cluster compounds that are ideal for the design of molecular magnets.1
Packaging
100, 500 g in poly bottle

Sigma Aldrich - 25042

Application
Used in synthesis of polynuclear-nickel polyoxotungstate cluster compounds that are ideal for the design of molecular magnets.1