dichloronickel; bis(tributylphosphane)

• ChemBase ID: 146700
• Molecular Formular: C24H54Cl2NiP2
• Molecular Mass: 534.232482
• Monoisotopic Mass: 532.24312325
• SMILES: CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.Cl[Ni]Cl
• Canonical SMILES: CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.Cl[Ni]Cl
• InChI: InChI=1S/2C12H27P.2ClH.Ni/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;;;/h2*4-12H2,1-3H3;2*1H;/q;;;;+2/p-2
• InChIKey: KPFOFXWYYUNJOZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloronickel; bis(tributylphosphane)
• IUPAC Traditional name: nickel chloride; bis(tributylphosphine)
• Synonyms: NSC 54233; Dichlorobis(tributylphosphine)nickel(II); 二氯二(三丁基膦)镍(II)

Database IDs

• CAS Number: 15274-43-8
• MDL Number: MFCD00049260
• PubChem SID: 162240892; 24860021
• PubChem CID: 6102062

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8171377
• LogD (pH = 7.4): 3.8240328
• Log P: 4.3595
• Molar Refractivity: 68.4258 cm^3
• Polarizability: 25.590317 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 43-45 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 45-20/21/22-34-42/43
• Safety Statements: 53-22-26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H317-H332-H334-H350
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: {[CH3(CH2)3]3P}2NiCl2

DETAILS

Sigma Aldrich - 332062

Packaging
5 g in glass bottle
Application
Catalyst for:
• Wenkert arylations1
• Regioselective [2+2+2] cycloadditions2
• Polymerization reactions3