Research chemical
CAS Number: 2225169-45-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
133555300
Exact Mass
273.114793
InChIKey
DMQAKBIQQOLEJB-UHFFFAOYSA-N
IUPAC Name
[4-piperidin-4-yl-3-(trifluoromethyl)phenyl]boronic acid
SMILES String
OB(O)c1ccc(C2CCNCC2)c(C(F)(F)F)c1
Appearance
Catalog navigation
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4-(Piperidin-4-yl)-3-trifluoromethylphenylboronic acid is identified by CAS 2225169-45-7, with molecular formula C12H15BF3NO2, molecular weight 273.06, InChIKey DMQAKBIQQOLEJB-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 crystalline powder
Physical State
Solid
Melting Point
150.0 °C
Boiling Point
400.0 °C
Density
1.3 g/cm³
Water Solubility
Slightly soluble
Flash Point
280.0 °C
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
400.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
19
H-bond acceptors
3
H-bond donors
3
Rotatable bonds
2
Ring count
2
Aromatic rings
1
Topological polar surface area
52.49 Ų
Computed LogP
0.85
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
4-(Piperidin-4-yl)-3-trifluoromethylphenylboronic acid is a trifluoromethylated phenylboronic acid derivative featuring a piperidine substituent. It is primarily utilized as a versatile building block in organic synthesis for research purposes.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Primarily used as a chemical building block in organic synthesis, especially in Suzuki-Miyaura cross-coupling reactions for the construction of complex molecules in pharmaceutical and agrochemical research.
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.
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