Tetrakis(acetonitrile)copper(I) perchlorate

Properties, data and information sources.

Contents

Tetrakis(acetonitrile)copper(I) perchlorate is a copper complex with acetonitrile and a perchlorate anion as a counterion. Accordingly, the chemical compound can be synthesized by the reaction of copper(i) oxide with perchloric acid in acetonitrile.

Names and Identifiers

Name
Tetrakis(acetonitrile)copper(I) perchlorate

Formula
C₈H₁₂ClCuN₄O₄
[Cu(CH₃CN)₄][ClO₄]

Molar mass
327.204 (g/mol)

CAS registry number
14057-91-1

InChI Key
FXYIJMLSVDZYOJ-UHFFFAOYSA-M

Other names, synonyms
Copper(I) acetonitrile perchlorate

Chemical formulas

Molecular formula and structural formula of Tetrakis(acetonitrile)copper(I) perchlorate:

C₈H₁₂ClCuN₄O₄ or [Cu(CH₃CN)₄][ClO₄]

M_r = 327.204 g/mol
SMILES: CC#N.CC#N.CC#N.CC#N.[O-]Cl(=O)(=O)=O.[Cu+]

Data and Properties

Pure Copper(I) acetonitrile perchlorate exists as a white, crystalline solid that slowly decomposes due to atmospheric humidity.

melting point
165 °C

Spectroscopic data:

Calculated NMR spectrum (Predict Spectra via NMRDB)
¹H NMR Spektrum, ¹³C NMR Spektrum.

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Tetrakis(acetonitrile)copper(I) perchlorate - C₈H₁₂ClCuN₄O₄ - calculated based on molecular mass.

Symbol
Element ENumber x
of atoms E_xData of the element
and isotopes *Percentages
of isotopesPercentage of
E_x in formula massC
Carbon8 A_r = 12.011 u
ΣA_r = 96.088 u
¹²C: 12 u [98,94 %]
¹⁴C: 14.00324 u [<< 1 %]
¹³C: 13.00335 u [1,06 %]
¹²C: 29.05511 %
¹⁴C: trace
¹³C: 0.31128 %
29.3664 %H
Hydrogen12 A_r = 1.008 u
ΣA_r = 12.096 u
³H: 3.01605 u [<< 1 %]
¹H: 1.00783 u [99,99 %]
²H: 2.0141 u [0,01 %]
³H: trace
¹H: 3.69641 %
²H: 0.00037 %
3.6968 %Cl
Chlorine1ΣA_r = 35.45 u
³⁵Cl: 34.96885 u [75,80 %]
³⁶Cl: 35.96831 u [<< 1 %]
³⁷Cl: 36.9659 u [24,2 %]
³⁵Cl: 8.21234 %
³⁶Cl: trace
³⁷Cl: 2.62188 %
10.8342 %Cu
Copper1ΣA_r = 63.546 u
⁶³Cu: 62.9296 u [69,15 %]
⁶⁵Cu: 64.92779 u [30,85 %]
⁶³Cu: 13.42956 %
⁶⁵Cu: 5.99135 %
19.4209 %N
Nitrogen4 A_r = 14.007 u
ΣA_r = 56.028 u
¹⁴N: 14.00307 u [99,6205 %]
¹⁵N: 15.00011 u [0,3795 %]
¹⁴N: 17.05828 %
¹⁵N: 0.06498 %
17.1233 %O
Oxygen4 A_r = 15.999 u
ΣA_r = 63.996 u
¹⁶O: 15.99491 u [99,757 %]
¹⁷O: 16.99913 u [0,03835 %]
¹⁸O: 17.99916 u [0,205 %]
¹⁶O: 19.51091 %
¹⁷O: 0.0075 %
¹⁸O: 0.04009 %
19.5584 %

*) 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 = 327.204 grams per mole.

The amount of substance in one kilogram of the substance is n = 3.056 mol.

The amount of substance in one gram of the substance is n = 0.003 mol.

Monoisotopic mass: 325.9843046794 Da - related to ¹²C₈¹H₁₂³⁵Cl⁶³Cu¹⁴N₄¹⁶O₄.

External Sources

PubChem:ID 11001945

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Tetrakis(acetonitrile)copper(I) perchlorate as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

Literature Sources

[1] - Ilya S. Kritchenkov et al.:
Efficient one-pot green synthesis of tetrakis(acetonitrile)copper(I) complex in aqueous media.
In: RSC Advances, 9, (2019), DOI 10.1039/C8RA10564B.

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Last update: 2026-01-17

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