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Research chemical

2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS Number: 2172654-65-6

Chemical structure
2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile molecular structure, CAS 2172654-65-6

Product details

Identity & specification

Molecular formula
C13H15BClNO2
Molecular weight
263.53 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

133632138

Exact Mass

263.088437

InChIKey

XYFXKWAXQFIFKJ-UHFFFAOYSA-N

SMILES String

CC1(C)OB(c2cccc(C#N)c2Cl)OC1(C)C

Physical Properties

Appearance

White to off-white solid

Physical State

Solid

Melting Point

100.0 °C

Boiling Point

350.0 °C

Density

1.2 g/cm³

Water Solubility

Insoluble

Flash Point

185.0 °C

Show more physical data

Vapor Pressure

Estimated value, unit not specified

Autoignition Temp

380.0 °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

18

H-bond acceptors

3

H-bond donors

0

Rotatable bonds

1

Ring count

2

Aromatic rings

1

Topological polar surface area

42.25 Ų

Computed LogP

2.51

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

2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a research-use chemical featuring a chlorobenzonitrile moiety and a pinacol boronate group, making it a versatile building block for various synthetic organic chemistry applications.

Sourcing context

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

Research use context

This compound is primarily used in synthetic organic chemistry as a versatile building block. Its pinacol boronate group is ideal for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.

Documentation needs

Handle 2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. 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

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 chloride, nitrogen oxides.

Disposal

  • Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional institution 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 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 2172654-65-6 in stock?

2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 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 2172654-65-6?

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