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(Pentamethylcyclopentadienyl)iridium(III) chloride dimer

Catalog Number
ACM12354846-1
Product Name
(Pentamethylcyclopentadienyl)iridium(III) chloride dimer
Structure
(Pentamethylcyclopentadienyl)iridium(III) chloride dimer
CAS
12354-84-6
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Synonyms
Dichloro(pentamethylcyclopentadienyl)iridium(III)dimer
IUPAC Name
iridium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tetrachloride;
Molecular Weight
796.7
Molecular Formula
C20H30Cl4Ir2
Canonical SMILES
C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3].[Ir+3]
InChI
InChI=1S/2C10H15.4ClH.2Ir/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;4*1H;/q2*-1;2*+3/p-4
InChI Key
MMAGMBCAIFVRGJ-UHFFFAOYSA-J
Melting Point
245 °C
Purity
99%
Appearance
Orange yellow powder
Complexity
72.4
Covalently-Bonded Unit Count
8
Defined Atom Stereocenter Count
0
Exact Mass
796.03073
H-Bond Acceptor
6
Heavy Atom Count
26
Monoisotopic Mass
796.03601
Rotatable Bond Count
0
Topological Polar Surface Area
0 Ų
UNII
6OY4UUC534
Application
Iridium-catalyzed C-3 alkylation of oxindole with alcohols.

Precursor to N-heterocyclic carbene catalyst effective for hydrogenation and alkylation of amines and alcohols.

Precursor to efficient phosphine free catalyst for enantioselective hydrogenation of quinoline derivatives.

Catalyst for oxidative C-H activation.

Precursor to an effective water oxidation catalyst.
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