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346276

Sigma-Aldrich

Tetrakis(acetonitrile)copper(I) hexafluorophosphate

97%

Synonym(s):

Copper(I) tetrakis(acetonitrile) hexafluorophosphate, Cuprous tetrakis(acetonitrile) hexafluorophosphate

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About This Item

Linear Formula:
[(CH3CN)4Cu]PF6
CAS Number:
64443-05-6
Molecular Weight:
372.72
MDL number:
MFCD00064810
UNSPSC Code:
12161600
PubChem Substance ID:
24861387
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

reaction suitability

core: copper
reagent type: catalyst

mp

160 °C (dec.) (lit.)

SMILES string

[Cu+].CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F

InChI

1S/4C2H3N.Cu.F6P/c4*1-2-3;;1-7(2,3,4,5)6/h4*1H3;;/q;;;;+1;-1

InChI key

GNQXUMGHBSAQBV-UHFFFAOYSA-N

Application

Tetrakis(acetonitrile)copper(I) hexafluorophosphate can be employed as a catalyst for the synthesis of triazolo[1,2-a]indazole-1,3,8-trione and 2H-indazolo[2,1-b]phthalazine-trione derivatives by the reaction of aryl aldehydes, dimedone and urazole or phthalhydrazide, respectively.
It can also be used as a copper precursor:
  • For the formation of Cu2S/CdS nanorod junctions by cationic exchange process.
  • To synthesize monometallic copper macrocyclic biquinazoline ligand [Cu(Mabiq)].
  • To prepare the cuprous complex [Cu(2-iQBO)(POP)]PF6]; where 2-iQBO=2-(1′-isoquinolyl)benzoxazole and POP=bis[2-(diphenylphosphino)phenyl]ether, which can form luminescent pseudo-polymorphs.
  • For the synthesis of [Cu(NHC)2]PF6 complexes [(NHC = N-heterocyclic carbene] which can be further used in the hydrosilylation of carbonyl compounds.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

346276-BULK:
346276-25G:4548173138459
346276-5G:4548173138466
346276-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
0000315505
0000315505
0000242952
MKCT6513
MKCR6665

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Structural Characterization and Photochemical Properties of Mono-and Bimetallic Cu-Mabiq Complexes.
Stark HS, et al.
Inorganic Chemistry, 28(9), 095705-095705 (2018)
Synthesis and characterization of [Cu (NHC)2] X complexes: Catalytic and mechanistic studies of hydrosilylation reactions.
Diez-Gonzalez S, et al.
Chemistry?A European Journal , 14(1), 158-168 (2008)
Two luminescent pseudo-polymorphic cuprous complexes with different optical properties: Synthesis, characterization and TD-DFT calculations.
Tao XD, et al.
Polyhedron, 144(9), 36-43 (2018)
Tetrakis (acetonitrile) copper (I) Hexafluorophosphate as an Efficient Catalyst for the Synthesis of Triazolo [1, 2-a] indazole-1, 3, 8-trione and 2Hindazolo [2, 1-b] phthalazine-trione Derivatives.
Azarifar D, et al.
Letters in Organic Chemistry, 9(2), 128-132 (2012)
Differential conductance (dI/dV) imaging of a heterojunction-nanorod.
Kundu B, et al.
Nanotechnology, 28(9), 095705-095705 (2017)
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