(octanoyloxy)nickelio octanoate hydrate

• ChemBase ID: 145703
• Molecular Formular: C16H32NiO5
• Molecular Mass: 363.11568
• Monoisotopic Mass: 362.16031702
• SMILES: CCCCCCCC(=O)O[Ni]OC(=O)CCCCCCC.O
• Canonical SMILES: CCCCCCCC(=O)O[Ni]OC(=O)CCCCCCC.O
• InChI: InChI=1S/2C8H16O2.Ni.H2O/c2*1-2-3-4-5-6-7-8(9)10;;/h2*2-7H2,1H3,(H,9,10);;1H2/q;;+2;/p-2
• InChIKey: GOLWVMMVTHBFHR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (octanoyloxy)nickelio octanoate hydrate
• IUPAC Traditional name: (octanoyloxy)nickelio octanoate hydrate
• Synonyms: Octanoic acid nickel(II) salt hydrate; Nickel(II) octanoate hydrate; 辛酸 镍(II) 盐 水合物; 辛酸镍(II) 水合物

Database IDs

• CAS Number: 304656-41-5
• EC Number: 225-656-7
• MDL Number: MFCD00150806
• PubChem SID: 24858763; 162239906
• PubChem CID: 16211976

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.356
• LogD (pH = 7.4): 4.356
• Log P: 4.356
• Molar Refractivity: 78.696 cm^3
• Polarizability: 34.92216 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-46-20/21/22
• Safety Statements: 53-36/37/39-45
• GHS Pictograms: GHS05; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H317-H334-H341-H350i-H360D-H372-H410
• GHS Precautionary statements: P201-P261-P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: 98%
• Linear Formula: [CH3(CH2)6CO2]2Ni · xH2O

DETAILS

Sigma Aldrich - 309990

Packaging
5, 25 g in glass bottle