Research chemical
CAS Number: 2225151-81-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
133555161
Exact Mass
287.130443
InChIKey
VKXSSPJPLNXFOU-UHFFFAOYSA-N
IUPAC Name
[4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)phenyl]boronic acid
SMILES String
CC1CCCCN1c1ccc(B(O)O)c(C(F)(F)F)c1
Appearance
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.
2-Trifluoromethyl-4-(2-methylpiperidin-1-yl)phenylboronic acid is identified by CAS 2225151-81-3, with molecular formula C13H17BF3NO2, molecular weight 287.09, InChIKey VKXSSPJPLNXFOU-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 powder
Physical State
Solid
Melting Point
150.0 °C
Boiling Point
380.0 °C
Density
1.3 g/cm³
Water Solubility
Slightly soluble
Flash Point
200.0 °C
Vapor Pressure
Estimated very low; 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
2
Rotatable bonds
2
Ring count
2
Aromatic rings
1
Topological polar surface area
43.7 Ų
Computed LogP
1.76
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 functionalized phenylboronic acid derivative containing a trifluoromethyl group and a 2-methylpiperidin-1-yl substituent. It is primarily intended for research and development applications as a chemical intermediate.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is a research-use-only chemical intermediate, primarily utilized in organic synthesis, particularly as a building block in Suzuki-Miyaura cross-coupling reactions for the construction of complex molecules.
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 Request