Research chemical
CAS Number: 16971-01-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
86890
Exact Mass
1050.18187
InChIKey
DNCBRZLWZJURKO-UHFFFAOYSA-L
IUPAC Name
hydride;iridium(3+);tris(triphenylphosphane);dichloride
SMILES String
[H-].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.[Cl-].[Cl-].[Ir+3]
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Dichlorohydrotris(triphenylphosphine)iridium is identified by CAS 16971-01-0, with molecular formula C54H46Cl2IrP3, molecular weight 1051, InChIKey DNCBRZLWZJURKO-UHFFFAOYSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
60
H-bond acceptors
0
H-bond donors
0
Rotatable bonds
9
Ring count
9
Aromatic rings
9
Topological polar surface area
0 Ų
Computed LogP
4.45
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal phosphine complex
Precious metal motif
Yes
Transition metal motif
Yes
Phosphine ligand motif
Yes
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Dichlorohydrotris(triphenylphosphine)iridium (CAS 16971-01-0) is maintained as a commercial cas reference with formula C54H46Cl2IrP3, molecular weight 1051. 00 g/mol, PubChem CID 86890.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include phosphine-ligand motif, transition-metal-containing structure.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.