bis(methanidylidyneoxidanium) bis(triphenylphosphane) nickel

• ChemBase ID: 147187
• Molecular Formular: C38H30NiO2P2
• Molecular Mass: 639.284522
• Monoisotopic Mass: 638.10744636
• SMILES: [C-]#[O+].[C-]#[O+].c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ni]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O+]#[C-].[O+]#[C-].[Ni]
• InChI: InChI=1S/2C18H15P.2CO.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;/h2*1-15H
• InChIKey: SLFKPACCQUVAPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(methanidylidyneoxidanium) bis(triphenylphosphane) nickel
• IUPAC Traditional name: bis(carbon monoxide) bis(triphenylphosphine) nickel
• Synonyms: Nickel(0)bis(triphenylphosphine) dicarbonyl; Bis(triphenylphosphine)nickel(0)dicarbonyl; Dicarbonylbis(triphenylphosphine)nickel(0); Bis(triphenylphosphine)dicarbonylnickel; 二羰基双(三苯基膦)镍(0); 双三苯基膦二羰基镍(0); 双三苯基膦二羰基镍

Database IDs

• CAS Number: 13007-90-4
• EC Number: 235-851-9
• MDL Number: MFCD00009591
• PubChem SID: 24852811; 162241378
• PubChem CID: 6097237

CALCULATED PROPERTIES

• Rotatable Bonds: 6
• Lipinski's Rule of Five: false
• 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

PROPERTIES

Physical Property

• Melting Point: 206-209 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-42/43
• Safety Statements: 53-22-36/37-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H350
• GHS Precautionary statements: P201-P280-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: [(C6H5)3P]2Ni(CO)2

DETAILS

Sigma Aldrich - 213934

Packaging
10 g in glass bottle
Application
Catalyst for:
• Cyclotrimerization reactions1
• Cyclooligomerization reactions2