Research chemical
CAS Number: 2095252-36-9
![(S)-5-Benzyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate molecular structure, CAS 2095252-36-9](/structure-images/2095252-36-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
170906987
Exact Mass
453.105881
InChIKey
SYZWZMSKTBOIGG-MERQFXBCSA-N
IUPAC Name
(5S)-5-benzyl-2-(2,3,4,5,6-pentafluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate
SMILES String
F[B-](F)(F)F.Fc1c(F)c(F)c(-[n+]2cn3c(n2)CC[C@H]3Cc2ccccc2)c(F)c1F
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.
(S)-5-Benzyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate is identified by CAS 2095252-36-9, with molecular formula C18H13BF9N3, molecular weight 453.1, InChIKey SYZWZMSKTBOIGG-MERQFXBCSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
31
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
4
Aromatic rings
3
Topological polar surface area
21.7 Ų
Computed LogP
4.89
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
(S)-5-Benzyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate (CAS 2095252-36-9) is maintained as a commercial cas reference with formula C18H13BF9N3, molecular weight 453. 10 g/mol, PubChem CID 170906987.
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 nitrogen-containing heterocycle, boronic-acid-related structure, drug-like rule profile.
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.