Research chemical
CAS Number: 2170501-97-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
133662160
Exact Mass
287.130443
InChIKey
XKHXSRJQCMAADT-UHFFFAOYSA-N
SMILES String
Cc1cnc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1
Appearance
White crystalline powder
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.
5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine is identified by CAS 2170501-97-8, with molecular formula C13H17BF3NO2, molecular weight 287.09, InChIKey XKHXSRJQCMAADT-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
95.0 °C
Boiling Point
310.0 °C
Density
1.3 g/cm³
Water Solubility
Slightly soluble
Flash Point
175.0 °C
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
450.0 °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
2.71
Fragment-like structure rule
Yes
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 is a trifluoromethylated pyridine derivative featuring a pinacol boronate ester, making it a valuable building block for Suzuki-Miyaura coupling and other cross-coupling reactions in organic synthesis.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is primarily used as a versatile building block in organic synthesis, particularly for palladium-catalyzed cross-coupling reactions like Suzuki-Miyaura coupling, to construct complex molecular architectures in medicinal chemistry, agrochemistry.
Documentation needs
Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.