Nickel tetracarbonyl
Properties, data and information sources.
Contents
Names and Identifiers
Formula
C4NiO4
Ni(CO)4
Molar mass
170.733 (g/mol)
CAS registry number
13463-39-3
EC number EINECS
236-669-2
InChI Key
AWDHUGLHGCVIEG-UHFFFAOYSA-N
Systematic name
Tetracarbonylnickel
Other names, synonyms
Nickel carbonyl
Chemical formulas
Molecular formula and structural formula of Nickel tetracarbonyl:
C4NiO4 or Ni(CO)4
Mr = 170.7334 g/mol
Tetracarbonylnickel
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ni]
Data and Properties
In its pure state, nickel tetracarbonyl is a colorless, musty-smelling liquid.
solubility:+ Miscible with organic solvents.
- Unsoluble in
water (0,002 g/L at 20 °C).
melting point
-25 °C
boiling point
43 °C
decomposition temperature
160 °C
flash point
4 °C
ignition temperature
60 °C
density
1.319 g cm-3 at 20 °C
vapor pressure
425 hPa at 20 °C
viscosity
3.05 · 10-44 Pa s
standard enthalpy of formation
-632 kJ/mol at 25 °C
standard entropie
320 J/(K mol) at 25 °C
enthalpy of combustion
-1180 kJ/mol at 25 °C
Spectroscopic data:
SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)Lj3aNu2gtuN
Percentage and isotopic composition:
Mass-related elemental composition and isotope proportions of the compound Nickel tetracarbonyl - C4NiO4 - calculated based on molecular mass.
Symbol
Element ENumber x
of atoms ExData of the element
and isotopes *Percentages
of isotopesPercentage of
Ex in formula massC
Carbon4 Ar = 12.011 u
ΣAr = 48.044 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %]
12C: 27.8415 %
14C: trace
13C: 0.29828 %
28.1398 %Ni
Nickel1ΣAr = 58.6934 u
58Ni: 57.93534 u [68,0769 %]
60Ni: 59.93079 u [26,2231 %]
64Ni: 63.92797 u [0,9256 %]
62Ni: 61.92835 u [3,6345 %]
61Ni: 60.93105 u [1,1399 %]
58Ni: 23.40295 %
60Ni: 9.01477 %
64Ni: 0.3182 %
62Ni: 1.24944 %
61Ni: 0.39187 %
34.3772 %O
Oxygen4 Ar = 15.999 u
ΣAr = 63.996 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
16O: 37.39192 %
17O: 0.01437 %
18O: 0.07684 %
37.4830 % *) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.
More calculated data
The molar mass is M = 170.7334 grams per mole.
The amount of substance in one kilogram of the substance is n = 5.857 mol.
The amount of substance in one gram of the substance is n = 0.006 mol.
Monoisotopic mass: 169.915000476 Da - related to 12C458Ni16O4.
Hazard warnings according to GHS
(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.
Signal word: Danger
GHS hazard statements (H phrases):
H225
Highly flammable liquid and vapour
H330
Fatal if inhaled
H351
Suspected of causing cancer
H360
May damage fertility or the unborn child
H400
Very toxic to aquatic life
H410
Very toxic to aquatic life with long lasting effects
Nickel tetracarbonyl forms flammable vapor-air mixtures with an explosive range between 2 and 34 vol.% and reacts violently with oxidizing agents.
Labeling in the EU: See ECHA Substance Infocard 100.033.322.
For toxicology and occupational safety when handling Nickel tetracarbonyl as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 004260.
External Sources
PubChem:ID 518772ChemSpider:ID 24253UNII of the FDA (USA):Unique Ingredient Identifier 1ZYL78UWZNEPA CompTox Chemicals Dashboard:DTXSID0024212Other CAS RN:13005-31-7; 14875-95-7; 71327-12-3; 36252-60-5; 42126-46-5; 848779-18-0 (also used, outdated or deleted registration numbers)
Manufacturers and Sources of Supply
The table below lists producers and suppliers of Nickel tetracarbonyl as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.
Literature Sources
[0] - Specialist and research articles in scientific journals via PubMed: Nickel_tetracarbonyl.
Last update: 2026-01-16
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