Research chemical

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

CAS Number: 775351-57-0

Product details

Identity & specification

Molecular formula: C13H15BFNO2
Molecular weight: 247.07 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

11402361

Exact Mass

247.117987

InChIKey

RYJOVQGRIOURGT-UHFFFAOYSA-N

SMILES String

CC1(C)OB(c2ccc(F)c(C#N)c2)OC1(C)C

Physical Properties

Appearance

White solid

Physical State

Solid

Melting Point

47.0 °C

Boiling Point

272.0 °C

Density

1.3 g/cm³

Water Solubility

1.32 × 10⁻³ mol/L

Flash Point

130.0 °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

42.25 Å²

Computed LogP

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

This compound is a fluorinated benzonitrile derivative featuring a pinacol boronate ester, commonly employed as a versatile building block in organic synthesis, especially for Suzuki-Miyaura cross-coupling reactions.

Sourcing context

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

Research use context

Primarily utilized as a chemical building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions to form new carbon-carbon bonds.

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

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

and reaction activity.
Carbon monoxide, carbon dioxide, boron oxides, hydrogen fluoride, nitrogen oxides.

Disposal

The remaining and non-recyclable solutions should be handed over to a licensed company for disposal.
Contact a professional institution with a 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.
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

690-898-63-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER3-Cyano-4-fluorophenylboronic acid pinacol ester2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzonitrileBENZONITRILE, 2-FLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-

Show all synonyms

3-CYANO-4-FLUOROBENZENEBORONIC ACID PINACOL ESTERRYJOVQGRIOURGT-UHFFFAOYSA-N2-FLUORO-5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILECS-W000967F1253N104833-Cyano-4-fluorophenyl-boronic acid pinacol esterF219374Z20447540473-Cyano-4-fluorophenylboronic acid pinacol ester, AldrichCPR2-Fluoro-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzonitrile

External Identifiers

EC NUMBER: 690-898-6DSSTOX SUBSTANCE ID: DTXSID10464790WIKIDATA ID: Q82290282DTXSID10464790RefChem:87088DTXCID90415609MFCD06795681SCHEMBL1514603SCHEMBL30375876AKOS015960097AB29243DS-12916SY017630DB-011025EN300-211080

Documentation & Compliance Facts

Compliance Facts

HS Code: 293499

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, 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

Show non-linked catalog cues

Non-public related references

4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 463335-96-8

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 870238-67-8

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 1035235-29-0

3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 935685-88-4

5-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 461451-63-8

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

Procurement notes

Sourcing context and documentation notes

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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 775351-57-0 in stock?

2-Fluoro-5-(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 775351-57-0?

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