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Merck
CN

904694

Ir(p-CF3-ppy)3

≥95%, powder or crystals

Synonym(s):

Tris[2-(2-pyridinyl-κN)-5-(trifluoromethyl)phenyl-κC]iridium

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About This Item

Empirical Formula (Hill Notation):
C36H21F9IrN3
CAS Number:
500295-52-3
Molecular Weight:
858.77
MDL number:
MFCD31657272
UNSPSC Code:
12161600
NACRES:
NA.22

Key Documents

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Product Name

Ir(p-CF3-ppy)3, ≥95%

Assay

≥95%

form

powder or crystals

reaction suitability

core: iridium
reagent type: catalyst
reaction type: Photocatalysis

mp

>300 °C

photocatalyst activation

465 nm

SMILES string

[Ir]741([NH]8=C(c9c7cc(cc9)C(F)(F)F)C=CC=C8)([NH]5=C(c6c4cc(cc6)C(F)(F)F)C=CC=C5)[NH]2=C(c3c1cc(cc3)C(F)(F)F)C=CC=C2

InChI

1S/3C12H7F3N.Ir/c3*13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;/h3*1-4,6-8H;

InChI key

ZLVNAIXHGHEODI-UHFFFAOYSA-N

Related Categories

Application

This photocatalyst facilitates a variety of transformations using visible light, including the defluorination of arenes.

Product can be used with our line of photoreactors: Including Penn PhD (Z744035) & SynLED 2.0 (Z744080)

Other Notes

Facile synthesis and complete characterization of homoleptic and heteroleptic cyclometalated Iridium(III) complexes for photocatalysis

Photocatalytic C–F alkylation; facile access to multifluorinated arenes

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX5801
MKCT9999

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A Singh et al.
Chemical science, 6(12), 7206-7212 (2015-12-01)
C-F functionalizations that provide C-C bonds are challenging synthetic transformations, due in part to the large C-F bond strength, short bond length, nonpolarizable nature, the production of fluoride, and the regioselectivity-in the case of multifluorinated substrates. However, commercially available highly
Facile synthesis and complete characterization of homoleptic and heteroleptic cyclometalated Iridium(III) complexes for photocatalysis
Singh A, et al.
Journal of Organometallic Chemistry, 776, 51-59 (2015)

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