[(2-ethylhexanoyl)oxy]nickelio 2-ethylhexanoate

• ChemBase ID: 146702
• Molecular Formular: C16H30NiO4
• Molecular Mass: 345.1004
• Monoisotopic Mass: 344.14975234
• SMILES: CCCCC(CC)C(=O)O[Ni]OC(=O)C(CC)CCCC
• Canonical SMILES: CCCCC(C(=O)O[Ni]OC(=O)C(CCCC)CC)CC
• InChI: InChI=1S/2C8H16O2.Ni/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
• InChIKey: UVPKUTPZWFHAHY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethylhexanoyl)oxy]nickelio 2-ethylhexanoate
• IUPAC Traditional name: [(2-ethylhexanoyl)oxy]nickelio 2-ethylhexanoate
• Synonyms: 2-Ethylhexanoic acid nickel(II) salt; Nickel(II) 2-ethylhexanoate; 2-乙基己酸 镍(II) 盐; 2-乙基己酸镍

Database IDs

• MDL Number: MFCD00014002
• PubChem SID: 162240894; 24860524
• PubChem CID: 11131739

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6882
• LogD (pH = 7.4): 4.6882
• Log P: 4.6882
• Molar Refractivity: 78.643 cm^3
• Polarizability: 34.92216 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 154.4 °F; 68 °C
• Density: 0.96 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• German water hazard class: 3
• Risk Statements: 49-61-42/43-48/23-50/53-68
• Safety Statements: 53-23-36/37-45-61
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312-H315-H317-H318-H330-H334-H335-H341-H350i-H360D-H371-H372-H410
• GHS Precautionary statements: P201-P260-P273-P280-P284-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, 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: 78% (in 2-Ethylhexanoic acid)
• Compostion: Ni, 15%
• Linear Formula: [CH3(CH2)3CH(C2H5)CO2]2Ni

DETAILS

Sigma Aldrich - 338184

Packaging
25 mL in glass bottle