Research chemical
CAS Number: 862893-80-9
![2-Mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate molecular structure, CAS 862893-80-9](/structure-images/862893-80-9.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
11551416
Exact Mass
315.15299
InChIKey
RYBKLXMAEITDQU-UHFFFAOYSA-N
IUPAC Name
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate
SMILES String
CC1=CC(C)=CC(C)=C1[N+]2=CN3C(CCC3)=N2.F[B-](F)(F)F
2-Mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate is identified by CAS 862893-80-9, with molecular formula C14H18BF4N3, molecular weight 315.12, InChIKey RYBKLXMAEITDQU-UHFFFAOYSA-N.
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.
Appearance
Off-white to Pale-yellow to Yellow-brown Solid
Physical State
solid
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
22
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
1
Ring count
3
Aromatic rings
2
Topological polar surface area
21.7 Ų
Computed LogP
3.33
Fragment-like structure rule
No
Lead-like structure rule
Yes
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
Research Catalog Compound - Documentation and Supplier Confirmation Required (CAS 862893-80-9) 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.
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 RequestPurity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.