Carbonylhydridotris(triphenylphosphine)iridium(I)

Catalog Number	ACM17250258-1
CAS	17250-25-8
Structure
Synonyms	Carbon monoxide;iridium;triphenylphosphane
IUPAC Name	carbon monoxide;iridium;triphenylphosphane;
Molecular Weight	1007.1
Molecular Formula	C55H45IrOP3
Canonical SMILES	[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]
InChI	InChI=1S/3C18H15P.CO.Ir/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;
InChI Key	OWVGPTPQWABNND-UHFFFAOYSA-N
Melting Point	170 °C
Purity	99%
Appearance	Powder
Application	Catalyst for ring-opening isomerization of unsymmetrically substituted methylenecyclopropanes into 1,3-dienes Catalyst for asymmetric transfer hydrogenation of aromatic ketones under base-free conditions Catalyst for C-F bond activation for the C-S cross-coupling of aryl fluorides with diaryl disulfides to synthesize thioethers.
Complexity	212
Covalently-Bonded Unit Count	5
EC Number	241-282-7
Exact Mass	1007.23125
Heavy Atom Count	60
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1007.23125
Rotatable Bond Count	9
Topological Polar Surface Area	1 Ų