Research chemical

4-(Piperidin-4-yl)-3-trifluoromethylphenylboronic acid

CAS Number: 2225169-45-7

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

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

Physical Properties

Appearance

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

Show more physical data

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.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

52.49 Å²

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

Transition metal motif

Phosphine ligand motif

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

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.

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.

First Aid

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

Stability / Reactivity

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

Disposal

The product, remaining and non-recyclable 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

Fire Fighting

Use self-contained breathing apparatus if necessary.

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

Synonyms & references

Names & Synonyms

(4-(Piperidin-4-yl)-3-(trifluoromethyl)phenyl)boronic acid

External Identifiers

CS-34236

Documentation & Compliance Facts

Compliance Facts

HS Code: 293190

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

GHS pictograms

Hazard statements: H302, H315, H319, H335

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Compliance: standard-ruo

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

Registration Status

DSL: pending; AICS: pending; ENCS: pending; ICSR: pending; TSCA: pending; IECSC: pending; INSQR: pending; REACH: pending; K-REACH: pending; SEA_Regulatory: pending

Registration values are catalog reference status cues and may require jurisdiction-specific review.

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

3-(Piperidin-3-yl)-5-trifluoromethylphenylboronic acidCAS 2225152-66-7

6-Cyclohexyl-5-trifluoromethylpyridine-3-boronic acidCAS 2225177-59-1

2-Trifluoromethylpyridine-5-boronic acid pinacol esterCAS 1218790-39-6

3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridineCAS 1084953-47-8

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridineCAS 881402-16-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Procurement questions

What are the key identifiers for 4-(Piperidin-4-yl)-3-trifluoromethylphenylboronic acid (CAS 2225169-45-7)?

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.

Can I request a COA for CAS 2225169-45-7?

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

Can I request supplier SDS for 4-(Piperidin-4-yl)-3-trifluoromethylphenylboronic acid?

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

Is CAS 2225169-45-7 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.