Research chemical
CAS Number: 2225169-20-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
133555146
Exact Mass
287.130443
InChIKey
CFJPXAGENUADRS-UHFFFAOYSA-N
IUPAC Name
[4-(4-methylpiperidin-1-yl)-2-(trifluoromethyl)phenyl]boronic acid
SMILES String
CC1CCN(c2ccc(B(O)O)c(C(F)(F)F)c2)CC1
Appearance
2-Trifluoromethyl-4-(4-methylpiperidin-1-yl)phenylboronic acid is identified by CAS 2225169-20-8, with molecular formula C13H17BF3NO2, molecular weight 287.09, InChIKey CFJPXAGENUADRS-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.
White to off-white solid
Physical State
Solid
Melting Point
165.0 °C
Boiling Point
405.0 °C
Density
1.35 g/cm³
Water Solubility
Slightly soluble
Flash Point
250.0 °C
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
350.0 °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
2
Rotatable bonds
2
Ring count
2
Aromatic rings
1
Topological polar surface area
43.7 Ų
Computed LogP
1.62
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 compound is a phenylboronic acid derivative featuring a trifluoromethyl group and a 4-methylpiperidin-1-yl substituent.
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, particularly for Suzuki-Miyaura cross-coupling reactions to construct complex molecular structures for research purposes.
Documentation needs
Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes.
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 RequestNon-public references are shown as text only and do not imply equivalence, availability, or shared use.