Research chemical
Bis(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)copper(I) tetrafluoroborate
CAS Number: 886061-48-9
Product details
Identity & specification
- Molecular formula
- C54H72BCuF4N4
- Molecular weight
- 927.53 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
138395340
Exact Mass
926.50821
InChIKey
WBXGCAUZACMRJL-UHFFFAOYSA-N
IUPAC Name
copper(1+);bis(1-[2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ylidene]-3-[2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]-2H-imidazole-1,3-diium-2-ide);tetrafluoroborate
SMILES String
CC(C1=C(N(C=CN2C3=C(C(C)C)C=CC=C3C(C)C)C2=[Cu+]=C4N(C5=C(C(C)C)C=CC=C5C(C)C)C=CN4C6=C(C(C)C)C=CC=C6C(C)C)C(C(C)C)=CC=C1)C.F[B-](F)(F)F
Physical Properties
Appearance
Form: solid
Physical State
solid
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
64
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
12
Ring count
6
Aromatic rings
6
Topological polar surface area
19.72 Ų
Computed LogP
16.98
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
Research Catalog Compound for Transition Metal Catalyst Use (CAS 886061-48-9) is listed for boronic acid or boronate building-block sourcing.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: organoboron reagent procurement for research screening, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestProcurement questions
What are the key identifiers for Bis(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)copper(I) tetrafluoroborate (CAS 886061-48-9)?
Bis(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)copper(I) tetrafluoroborate is identified by CAS 886061-48-9, with molecular formula C54H72BCuF4N4, molecular weight 927.53, InChIKey WBXGCAUZACMRJL-UHFFFAOYSA-N.
Can I request a COA for CAS 886061-48-9?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Bis(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)copper(I) tetrafluoroborate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 886061-48-9 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.