Nickel carbonyl

Nickel tetracarbonyl

Names
IUPAC name Tetracarbonylnickel
Other names Nickel tetracarbonyl Nickel carbonyl
Identifiers
CAS Number	13463-39-3 Y
3D model (Jmol)	Interactive image
ChEBI	CHEBI:30372 Y
ChemSpider	21865021 Y
ECHA InfoCard	100.033.322
EC Number	236-669-2
PubChem	26039
RTECS number	QR6300000
UN number	1259
InChI InChI=1S/4CO.Ni/c4*1-2; Y Key: AWDHUGLHGCVIEG-UHFFFAOYSA-N Y InChI=1/4CO.Ni/c4*1-2;/rC4NiO4/c6-1-5(2-7,3-8)4-9 Key: AWDHUGLHGCVIEG-ARWXMKMZAJ
SMILES C(#O)[Ni](C#O)(C#O)C#O
Properties
Chemical formula	Ni(CO)4
Molar mass	170.73 g/mol
Appearance	colorless or very-pale-yellow liquid diamagnetic
Odor	musty, like brick dust
Density	1.319 g/cm3
Melting point	−17.2 °C (1.0 °F; 256.0 K)
Boiling point	43 °C (109 °F; 316 K)
Solubility in water	0.018 g/100 mL (10 °C)
Solubility	miscible in most organic solvents soluble in nitric acid, aqua regia
Vapor pressure	315 mmHg (20 °C)
Viscosity	3.05 x 10−4 Pa s
Structure
Coordination geometry	Tetrahedral
Molecular shape	Tetrahedral
Dipole moment	zero
Thermochemistry
Std molar entropy (So298)	320 J K−1 mol−1
Std enthalpy of formation (ΔfHo298)	−632 kJ/mol
Std enthalpy of combustion (ΔcHo298)	−1180 kJ/mol
Hazards
Safety data sheet	ICSC 0064
EU classification (DSD)	Flammable (F) Carc. Cat. 3 Repr. Cat. 2 Very Toxic (T+) Dangerous for the environment (N)
R-phrases	R61, R11, R26, R40, R50/53
S-phrases	S53, S45, S60, S61
NFPA 704	3 4 3
Flash point	4 °C (39 °F; 277 K)
Autoignition temperature	60 °C (140 °F; 333 K)
Explosive limits	2–34%
Lethal dose or concentration (LD, LC):
LC50 (median concentration)	266 ppm (cat, 30 min) 35 ppm (rabbit, 30 min) 94 ppm (mouse, 30 min) 10 ppm (mouse, 10 min)
LCLo (lowest published)	360 ppm (dog, 90 min) 30 ppm (human, 30 min) 42 ppm (rabbit, 30 min) 7 ppm (mouse, 30 min)
US health exposure limits (NIOSH):
PEL (Permissible)	TWA 0.001 ppm (0.007 mg/m3)
REL (Recommended)	TWA 0.001 ppm (0.007 mg/m3)
IDLH (Immediate danger)	Ca [2 ppm]
Related compounds
Related metal carbonyls	Iron pentacarbonyl Dicobalt octacarbonyl
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y  (what is YN ?)
Infobox references

Nickel carbonyl (IUPAC name: tetracarbonylnickel) is the organonickel compound with the formula Ni(CO)₄. This pale-yellow liquid is the principal carbonyl of nickel. It is an intermediate in the Mond process for the purification of nickel and a reagent in organometallic chemistry. Nickel carbonyl is one of the most toxic substances encountered in industrial processes.

In nickel tetracarbonyl, the oxidation state for nickel is assigned as zero. The formula conforms to 18-electron rule. The molecule is tetrahedral, with four carbonyl (carbon monoxide) ligands attached to nickel. The CO ligands, in which the C and the O are connected by triple bonds, are covalently bonded to the nickel atom via the carbon ends. Electron diffraction studies have been performed on this molecule, and the Ni–C and C–O distances have been calculated to be 1.838(2) and 1.141(2) angstroms respectively.

Ni(CO)₄ was first synthesised in 1890 by Ludwig Mond by the direct reaction of nickel metal with CO. This pioneering work foreshadowed the existence of many other metal carbonyl compounds, including those of V, Cr, Mn, Fe, and Co. It was also applied industrially to the purification of nickel by the end of the 19th century.

At 323 K (50 °C; 122 °F), carbon monoxide is passed over impure nickel. The optimal rate occurs at 130 °C.

Ni(CO)₄ is not readily available commercially. It is conveniently generated in the laboratory by carbonylation of commercially available bis(cyclooctadiene)nickel(0).