nickel(2+) ion bis(triphenylphosphane) dibromide

• ChemBase ID: 303654
• Molecular Formular: C36H30Br2NiP2
• Molecular Mass: 743.072322
• Monoisotopic Mass: 739.95429112
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ni+2].[Br-].[Br-]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ni+2].[Br-].[Br-]
• InChI: InChI=1S/2C18H15P.2BrH.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: QEKXARSPUFVXIX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis(triphenylphosphane) dibromide
• IUPAC Traditional name: nickel(2+) ion bis(triphenylphosphine) dibromide
• Synonyms: Bis(triphenylphosphine)nickel(II) bromide; Bis(triphenylphosphine)dibromonickel(II); Dibromobis(triphenylphosphine)nickel(II); 二溴双(三苯基膦)镍(II)

Database IDs

• CAS Number: 14126-37-5
• MDL Number: MFCD00015865

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: Powder
• Melting Point: 219-223°C

Safety Information

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

Product Information

• Purity: 99%