Chemical Identity
Molecular Formula
C13H15BClNO2
Molecular Weight
263.53 g/mol
Exact Mass
263.088437
PubChem CID
133632138
SMILES String
CC1(C)OB(c2cccc(C#N)c2Cl)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 2172654-65-6, is a highly functionalized organic compound. It incorporates a chlorine atom and a nitrile group on a benzene ring, alongside a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) substituent. This unique combination of functional groups makes it a valuable intermediate in the synthesis of complex organic molecules, particularly in cross-coupling reactions such as Suzuki-Miyaura coupling, where the boronate acts as a nucleophilic coupling partner. Its structure allows for further derivatization at multiple positions, enabling...
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Read more catalog context
2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 2172654-65-6, is a highly functionalized organic compound. It incorporates a chlorine atom and a nitrile group on a benzene ring, alongside a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) substituent. This unique combination of functional groups makes it a valuable intermediate in the synthesis of complex organic molecules, particularly in cross-coupling reactions such as Suzuki-Miyaura coupling, where the boronate acts as a nucleophilic coupling partner. Its structure allows for further derivatization at multiple positions, enabling the creation of diverse chemical scaffolds for drug discovery and materials science research.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
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
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- 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. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.