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Research chemical

3-(Piperidin-3-yl)-5-trifluoromethylphenylboronic acid

CAS Number: 2225152-66-7

Chemical structure
3-(Piperidin-3-yl)-5-trifluoromethylphenylboronic acid molecular structure, CAS 2225152-66-7

Product details

Identity & specification

Molecular formula
C12H15BF3NO2
Molecular weight
273.06 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

133555291

Exact Mass

273.114793

InChIKey

JAFBNBXYPHTSNZ-UHFFFAOYSA-N

IUPAC Name

[3-piperidin-3-yl-5-(trifluoromethyl)phenyl]boronic acid

SMILES String

OB(O)c1cc(C2CCCNC2)cc(C(F)(F)F)c1

Physical Properties

Appearance

White to off-white powder

Physical State

Solid

Melting Point

170.0 °C

Boiling Point

350.0 °C

Density

1.35 g/cm³

Water Solubility

Slightly soluble

Flash Point

185.0 °C

Show more physical data

Vapor Pressure

Estimated value, unit not specified

Autoignition Temp

420.0 °C

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

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.

Catalog Facts

Structural features

3-(Piperidin-3-yl)-5-trifluoromethylphenylboronic acid is a research-use chemical intermediate.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

This compound is primarily used as a functionalized intermediate in organic synthesis. Its boronic acid group is ideal for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.

Documentation needs

Handle 3-(Piperidin-3-yl)-5-trifluoromethylphenylboronic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety glasses, gloves, and a lab coat, to prevent skin and eye contact.

Applications & Classification

Research intermediateCustom synthesis building blockCatalysts & LigandsPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and stability.
  • Carbon monoxide, carbon dioxide, boron oxides, hydrogen fluoride, nitrogen oxides.

Disposal

  • The product and remaining solutions should be handed over to a licensed company for disposal.
  • Contact a professional organization with a waste disposal license to handle this substance.
Show additional safety reference fields

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

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

Procurement questions

What are the key identifiers for 3-(Piperidin-3-yl)-5-trifluoromethylphenylboronic acid (CAS 2225152-66-7)?

3-(Piperidin-3-yl)-5-trifluoromethylphenylboronic acid is identified by CAS 2225152-66-7, with molecular formula C12H15BF3NO2, molecular weight 273.06, InChIKey JAFBNBXYPHTSNZ-UHFFFAOYSA-N.

Can I request a COA for CAS 2225152-66-7?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 3-(Piperidin-3-yl)-5-trifluoromethylphenylboronic acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 2225152-66-7 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.