Research chemical
CAS Number: 2223047-09-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
72214369
Exact Mass
307.075821
InChIKey
BFNDUQLSNAWRIQ-UHFFFAOYSA-N
SMILES String
CC1(C)OB(c2cc(Cl)cc(C(F)(F)F)n2)OC1(C)C
Appearance
white crystalline solid
Physical State
solid
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.
4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-6-(trifluoromethyl)pyridine is identified by CAS 2223047-09-2, with molecular formula C12H14BClF3NO2, molecular weight 307.5, InChIKey BFNDUQLSNAWRIQ-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.
Melting Point
100.0 °C
Boiling Point
300.0 °C
Density
1.4 g/cm³
Water Solubility
insoluble
Flash Point
205.0 °C
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
410.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
20
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
1
Ring count
2
Aromatic rings
1
Topological polar surface area
31.35 Ų
Computed LogP
3.05
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
This compound is a pyridine derivative featuring a chloro group, a trifluoromethyl group, and a pinacol boronate ester.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Primarily utilized as a chemical building block in organic synthesis, especially for Suzuki-Miyaura cross-coupling reactions. Suitable for researchers developing novel pharmaceutical intermediates or advanced materials.
Documentation needs
Handle with appropriate personal protective equipment, including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure adequate ventilation or use a fume hood to prevent inhalation. Avoid direct contact with skin, eyes, and clothing.
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 Request