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Research chemical

2-Trifluoromethyl-5-(piperidin-3-yl)phenylboronic acid

CAS Number: 2225152-80-5

Chemical structure
2-Trifluoromethyl-5-(piperidin-3-yl)phenylboronic acid molecular structure, CAS 2225152-80-5

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

133555283

Exact Mass

273.114793

InChIKey

YXRKPUNTORJIAJ-UHFFFAOYSA-N

IUPAC Name

[5-piperidin-3-yl-2-(trifluoromethyl)phenyl]boronic acid

SMILES String

OB(O)c1cc(C2CCCNC2)ccc1C(F)(F)F

Physical Properties

Appearance

White solid

Physical State

Solid

Melting Point

155.0 °C

Boiling Point

380.0 °C

Density

1.35 g/cm³

Water Solubility

Slightly soluble

Flash Point

200.0 °C

Show more physical data

Vapor Pressure

Estimated very low; unit not specified

Autoignition Temp

400.0 °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

This compound is a functionalized phenylboronic acid derivative featuring a trifluoromethyl group and a piperidin-3-yl substituent.

Sourcing context

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

Research use context

Primarily used as a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, for the creation of novel pharmaceutical intermediates, agrochemicals, and advanced materials in research and development settings.

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.

Applications & Classification

Research intermediateCustom synthesis building blockPharmaceutical 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 agency 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 2-Trifluoromethyl-5-(piperidin-3-yl)phenylboronic acid (CAS 2225152-80-5)?

2-Trifluoromethyl-5-(piperidin-3-yl)phenylboronic acid is identified by CAS 2225152-80-5, with molecular formula C12H15BF3NO2, molecular weight 273.06, InChIKey YXRKPUNTORJIAJ-UHFFFAOYSA-N.

Can I request a COA for CAS 2225152-80-5?

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

Can I request supplier SDS for 2-Trifluoromethyl-5-(piperidin-3-yl)phenylboronic acid?

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

Is CAS 2225152-80-5 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.