Nickel tetracarbonyl

Base Information

• Chemical Name: Nickel tetracarbonyl
• CAS No.: 13463-39-3
• Deprecated CAS: 13005-31-7,14875-95-7,36252-60-5,42126-46-5,71327-12-3,848779-18-0
• Molecular Formula: C₄NiO₄
• Molecular Weight: 170.732
• European Community (EC) Number: 236-669-2
• DSSTox Substance ID: DTXSID0024212
• Wikipedia: Nickel tetracarbonyl,Nickel_tetracarbonyl
• Mol file: 13463-39-3.mol

Synonyms:nickel carbonyl;nickel tetracarbonyl

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Chemical Property of Nickel tetracarbonyl

Chemical Property:

• Appearance/Colour: colourless liquid with a musty odour
• Vapor Pressure: 321 mmHg at 20 °C
• Melting Point: -19°C
• Boiling Point: 43°C
• Flash Point: <-20℃
• PSA: 0.00000
• Density: 1,32g/cm3
• LogP: -0.83200
• Sensitive.: heat sensitive
• Water Solubility.: soluble in ~5000 parts air free H2O; soluble alcohol, benzene, chloroform, acetone, CCl4 [MER06]
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 169.915000
• Heavy Atom Count: 9
• Complexity: 76.5

Purity/Quality:

Safty Information:

• Pictogram(s): Flammable, dangerous fire risk, explodes at 60C (140F). A carcinogen (OSHA). TLV: 0.05 ppm(Ni).
• Hazard Codes: F,T+,N
• Statements: 11-26-40-50/53-61
• Safety Statements: 45-53-60-61

MSDS Files:

Useful:

• Canonical SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ni]
• Uses: Purification intermediate in refining nickel; catalyst in the petroleum, plastic, and rubber industries Nickel carbonyl is used in nickel vapoplating processes in the metallurgical and electronics industry, and in the catalytic methyl- and ethylacrylate monomer synthesis. For many years it had been used to produce pure nickel by the Mond process, which has been considered to be outdated since around 1970. Nickel tetracarbonyl is used in the manufactureof nickel powder and nickel-coatedmetals, and as a catalyst in carboxylation,coupling, and cyclization reactions. It canform from the contact of carbon monoxidewith nickel. In organic synthesis; production of high-purity nickel powder and continuous nickel coatings on steel and other metals.
• Description: Nickel carbonyl is a clear colourless to yellow volatile liquid, is flammable, and burns with a yellow flame. It is denser than water and insoluble in water but soluble in alcohol, benzene, chloroform, acetone, ethanol, carbon tetrachloride, and nitric acid. The vapours are heavier than air. In industries, nickel carbonyl is used in nickel coat steel and other metals and to make very pure nickel. Nickel carbonyl gets peroxidised by air as a solid deposit and decomposes to ignite.
• Physical properties: Colorless volatile liquid; diamagnetic; flammable; burns with a bright luminous flame; density 1.319 g/mL; freezes at -25°C; boils at 43°C; vapor pressure 320.6 torr at 20°C; vapor density 5.89 (air=1); critical temperature about 200°C; critical pressure 30 atm; practically insoluble in water, 180 mg/L at 10°C; miscible with most organic solvents including ethanol, acetone, and benzene; soluble in nitric acid and aqua regia.

Technology Process of Nickel tetracarbonyl

There total 354 articles about Nickel tetracarbonyl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

[Ni(1,3-di-tert-butyl-imidazolin-2-ylidene)(CO)2] + carbon monoxide (201230-82-2) → [(ImN(t-Bu)2)Ni(CO)3] + tetracarbonyl nickel (13463-39-3,71564-36-8)

Guidance literature:

In not given; byproducts: C3H2N2(C(CH3)3)2; High Pressure; not isolated, detected by IR;

DOI:10.1021/ja0438821

Reference yield: 99.0%

[(N,N'-bis(1-adamantylimidazol)-2-ylidene)Ni(CO)2] + carbon monoxide (201230-82-2) → [(ImN(adamantyl)2)Ni(CO)3] + tetracarbonyl nickel (13463-39-3,71564-36-8)

Guidance literature:

In not given; byproducts: C3H2N2(C10H15)2; High Pressure; not isolated, detected by IR;

DOI:10.1021/ja0438821

Reference yield: 75.0%

nickel (7440-02-0) → tetracarbonyl nickel (13463-39-3,71564-36-8)

Guidance literature:

With carbon monoxide; lithium perchlorate; In methanol; Electrochem. Process; CO 50 bar, electrolysis (Ni-anode, Bu4NBr, 293 K, 50 mA, 4.0 V, 120 h); distn., dried (P2O5);

upstream raw materials:

carbon monoxide

bis(1,5-cyclooctadiene)nickel ⁽⁰⁾

cis-[Fe(CO)4Cl₂]

nickel(II) oxide

Downstream raw materials:

3,6-Dimethylen-cycloheptanon

3-Carboxy-7-methyl-2,6-octadien-1-ol

methyl 2-hydroxymethylacrylate

(E)-ethyl 4-hydroxybut-2-enoate

Refernces

Synthesis, spectroscopic characterization, and crystal structure of the bimetallic complex [Ni₂(μ-CO)(CO)₂(μ-NH(PPh₂)₂)₂]

10.1021/ic990773s

The research focuses on the synthesis, spectroscopic characterization, crystal structure, and theoretical calculations of the dinuclear nickel(0) complex [Ni2(μ-CO)(CO)2(μ-dppa)2] (where dppa is bis(diphenylphosphino)amine). The complex was synthesized via two methods, yielding a stable microcrystalline yellow solid. The first method involved the reaction of Ni(CO)4 with the dppa ligand in benzene, while the second method used NiCl2·6H2O with dppa in methanol and sodium tetrahydroborate as a reducing agent with carbon monoxide. The synthesized complex was characterized using elemental analysis, infrared (IR) spectroscopy, proton and phosphorus-31 nuclear magnetic resonance (1H and 31P NMR), and cyclic voltammetry. The crystal structure was determined through X-ray diffraction, revealing a triclinic crystal system with a P1 space group and specific unit cell dimensions. Theoretical calculations using a semiempirical PM3 Hamiltonian were also conducted to predict bond orders and reactivity, supported by the Fukui function analysis. The complex was found to absorb carbon monoxide, leading to the formation of a mixture of nickel carbonyl compounds, and showed electrochemical behavior indicative of successive oxidation of the metal centers.