(Pentamethylcyclopentadienyl)iridium(III) chloride dimer

• CAS: 12354-84-6
• Catalog Number: ACM12354846-1
• Category: Iridium series of catalysts
• Molecular Weight: 796.7
• Molecular Formula: C20H30Cl4Ir2
• Synonyms: Dichloro(pentamethylcyclopentadienyl)iridium(III)dimer
• IUPAC Name: iridium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tetrachloride
• 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
• 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
• H-Bond Acceptor: 6
• 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
• UNII: 6OY4UUC534