Research chemical
CAS Number: 1623747-97-6
![4-[(E)-2-[2,2-difluoro-6-[2-(5-methyl-1-phenylpyrazol-1-ium-4-ylidene)ethylidene]-1,3-dioxa-2-boranuidacyclohex-4-en-4-yl]ethenyl]-5-methyl-1-phenylpyrazole molecular structure, CAS 1623747-97-6](/structure-images/1623747-97-6.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
91885450
Exact Mass
484.188213
InChIKey
DDFFGVTUEQJYQK-UHFFFAOYSA-N
SMILES String
[B-]1(OC(=CC(=CC=C2C=N[N+](=C2C)C3=CC=CC=C3)O1)/C=C/C4=C(N(N=C4)C5=CC=CC=C5)C)(F)F
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
36
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
5
Ring count
5
Aromatic rings
3
Topological polar surface area
51.65 Ų
Computed LogP
6.11
Fragment-like structure rule
No
Lead-like structure rule
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
30 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for catalysis development, ligand screening, and synthetic method research; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure.
Documentation needs
SDS signal word: Warning; hazard codes: H315, H319; For research use only.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
4-[(E)-2-[2,2-difluoro-6-[2-(5-methyl-1-phenylpyrazol-1-ium-4-ylidene)ethylidene]-1,3-dioxa-2-boranuidacyclohex-4-en-4-yl]ethenyl]-5-methyl-1-phenylpyrazole is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
Yes
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 RequestShipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.