(octadecanoyloxy)nickelio octadecanoate

• ChemBase ID: 137560
• Molecular Formular: C36H70NiO4
• Molecular Mass: 625.632
• Monoisotopic Mass: 624.46275362
• SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Ni]OC(=O)CCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Ni]OC(=O)CCCCCCCCCCCCCCCCC
• InChI: InChI=1S/2C18H36O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• InChIKey: JMWUYEFBFUCSAK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (octadecanoyloxy)nickelio octadecanoate
• IUPAC Traditional name: (octadecanoyloxy)nickelio octadecanoate
• Synonyms: Nickel(II) stearate; 硬脂酸镍(II)

Database IDs

• CAS Number: 2223-95-2
• EC Number: 218-744-1
• MDL Number: MFCD00054344
• PubChem SID: 24878715; 162231822
• PubChem CID: 11767333

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 12.282
• LogD (pH = 7.4): 12.282
• Log P: 12.282
• Molar Refractivity: 170.716 cm^3
• Polarizability: 71.671425 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 36
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 82-86 °C(lit.)
• Flash Point: 162 °C; 323.6 °F

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38-40-43-50/53
• Safety Statements: 22-36/37-60-61
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H334-H341-H350i-H360D-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
• RID/ADR: UN 3077 9/PG 3

Product Information

• Linear Formula: Ni(H3C(CH2)16CO2)2