tetrakis(triphenyl phosphite) nickel

• ChemBase ID: 146472
• Molecular Formular: C72H60NiO12P4
• Molecular Mass: 1299.828044
• Monoisotopic Mass: 1298.23886678
• SMILES: c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.[Ni]
• Canonical SMILES: c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.[Ni]
• InChI: InChI=1S/4C18H15O3P.Ni/c4*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h4*1-15H
• InChIKey: PGXCIAAANFTEKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(triphenyl phosphite) nickel
• IUPAC Traditional name: tetrakis(triphenyl phosphite) nickel
• Synonyms: Nickel tetrakis(triphenoxyphosphine); Tetrakis(triphenoxyphosphine)nickel; [(PhO)3P]4Ni; Tetrakis(triphenylphosphite)nickel(0); 四(亚磷酸三苯酯)镍

Database IDs

• CAS Number: 14221-00-2
• MDL Number: MFCD00010007
• PubChem SID: 162240668; 24857313
• PubChem CID: 11979965

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9509997
• LogD (pH = 7.4): 5.951
• Log P: 5.951
• Molar Refractivity: 87.3095 cm^3
• Polarizability: 34.251812 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 145 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38-40-43
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335-H351
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• 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
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: [(C6H5O)3P]4Ni

DETAILS

Sigma Aldrich - 288063

Packaging
1 g in glass bottle
Application
Catalyst for alkene and alkyne hydrocyanation and styrenedimerization