Research chemical

2-Trifluoromethylpyridine-5-boronic acid pinacol ester

CAS Number: 1218790-39-6

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

45598120

Exact Mass

273.114793

InChIKey

SOMIPHAQTXODQM-UHFFFAOYSA-N

IUPAC Name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine

SMILES String

CC1(C)OB(c2ccc(C(F)(F)F)nc2)OC1(C)C

Physical Properties

Appearance

white solid

Physical State

solid

Melting Point

86.0 °C

Boiling Point

262.0 °C

Density

1.3 g/cm³

Water Solubility

9.333E-4 mol/L

Flash Point

120.0 °C

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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

31.35 Å²

Computed LogP

2.4

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

2-Trifluoromethylpyridine-5-boronic acid pinacol ester is a trifluoromethylated pyridine derivative featuring a pinacol boronic ester.

Sourcing context

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

Research use context

Primarily utilized as a versatile building block in organic synthesis, especially for Suzuki-Miyaura cross-coupling reactions.

Documentation needs

Handle with appropriate personal protective equipment, 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.

PPE

Respiratory protection if needed

First Aid

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

Disposal

Dispose of remaining and non-recyclable solutions to a licensed company.
Contact a professional agency with waste disposal license to handle this substance.

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Fire Fighting

If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

Do not generate dust when collecting and disposing.
Use personal protective equipment and emergency procedures.

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

801-891-62-(Trifluoromethyl)pyridine-5-boronic Acid Pinacol EsterPyridine, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER2-(Trifluoromethyl)pyridine-5-boronicAcidPinacolEster

Show all synonyms

2-Trifluoromethylpyridine-5-boronic acid, pinacol ester5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridineF046124Z1741970751

External Identifiers

EC NUMBER: 801-891-6DSSTOX SUBSTANCE ID: DTXSID80670745WIKIDATA ID: Q72512656RefChem:483838MFCD11226774SCHEMBL15719116SCHEMBL29504614DTXSID80670745AKOS015892165MB09673NCGC00662910-01AS-31749SY012479DB-061986CS-0091161EN300-761559

Documentation & Compliance Facts

Compliance Facts

HS Code: 293339

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

GHS pictograms

Hazard statements: H315, H319, H335

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

Precautionary statements: P261, P305+P351+P338

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

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Non-public related references

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

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

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

2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol esterCAS 1036990-42-7

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

Procurement notes

Sourcing context and documentation notes

Show details

MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.

Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 1218790-39-6 in stock?

2-Trifluoromethylpyridine-5-boronic acid pinacol ester is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 1218790-39-6?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.