(Pentamethylcyclopentadienyl)iridium(III) chloride dimer

Catalog Number	ACM12354846-1
CAS	12354-84-6
Structure
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
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.
Complexity	72.4
Covalently-Bonded Unit Count	8
Defined Atom Stereocenter Count	0
Exact Mass	796.03073
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Monoisotopic Mass	796.03601
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų