diiodonickel; bis(triphenylphosphane)

• ChemBase ID: 303078
• Molecular Formular: C36H30I2NiP2
• Molecular Mass: 837.073262
• Monoisotopic Mass: 835.92656312
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ni](I)I
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.I[Ni]I
• InChI: InChI=1S/2C18H15P.2HI.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
• InChIKey: AKXNPPNNEDIAJL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: diiodonickel; bis(triphenylphosphane)
• IUPAC Traditional name: diiodonickel; bis(triphenylphosphine)
• Synonyms: Bis(triphenylphosphine)nickel(II) iodide; Bis(triphenylphosphine)diiodonickel(II); Diiodobis(triphenylphosphine)nickel(II); 双(三苯基膦)二碘化镍(II)

Database IDs

• CAS Number: 82308-17-6
• MDL Number: MFCD00015866

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline powder

Safety Information

• Storage Warning: Air & Light Sensitive
• European Hazard Symbols: Toxic (T)
• Risk Statements: 49-43
• Safety Statements: 53-24-37-45
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H350-H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A