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Research chemical

(2-Iodo-6-(trifluoromethyl)pyridin-4-yl)boronic acid

CAS Number: 2225181-30-4

Chemical structure
(2-Iodo-6-(trifluoromethyl)pyridin-4-yl)boronic acid molecular structure, CAS 2225181-30-4

Product details

Identity & specification

Molecular formula
C6H4BF3INO2
Molecular weight
316.81 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

133634711

Exact Mass

316.93319

InChIKey

UPEWVRKWCJWWRH-UHFFFAOYSA-N

IUPAC Name

[2-iodo-6-(trifluoromethyl)-4-pyridinyl]boronic acid

SMILES String

OB(O)c1cc(I)nc(C(F)(F)F)c1

Physical Properties

Appearance

White to off-white solid

Physical State

Solid

Melting Point

180.0 °C

Boiling Point

350.0 °C

Density

1.7 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °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

14

H-bond acceptors

3

H-bond donors

2

Rotatable bonds

1

Ring count

1

Aromatic rings

1

Topological polar surface area

53.35 Ų

Computed LogP

0.38

Fragment-like structure rule

No

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

A functionalized pyridine boronic acid derivative, (2-Iodo-6-(trifluoromethyl)pyridin-4-yl)boronic acid is a versatile building block in organic synthesis, particularly useful for Suzuki-Miyaura cross-coupling reactions.

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 for Suzuki-Miyaura cross-coupling reactions to construct complex pyridine-containing molecules.

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. Avoid inhalation, ingestion, and skin contact.

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 and reaction.
  • Carbon monoxide, carbon dioxide, boron oxides, hydrogen fluoride, hydrogen iodide, 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

Procurement questions

What are the key identifiers for (2-Iodo-6-(trifluoromethyl)pyridin-4-yl)boronic acid (CAS 2225181-30-4)?

(2-Iodo-6-(trifluoromethyl)pyridin-4-yl)boronic acid is identified by CAS 2225181-30-4, with molecular formula C6H4BF3INO2, molecular weight 316.81, InChIKey UPEWVRKWCJWWRH-UHFFFAOYSA-N.

Can I request a COA for CAS 2225181-30-4?

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

Can I request supplier SDS for (2-Iodo-6-(trifluoromethyl)pyridin-4-yl)boronic acid?

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

Is CAS 2225181-30-4 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.