Chemical Identity
Molecular Formula
C14H17BClNO2
Molecular Weight
277.55 g/mol
Exact Mass
277.104087
PubChem CID
133635617
IUPAC Name
4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
SMILES String
Cc1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)cc1C#N
Names & Synonyms
External Identifiers
Catalog Overview
4-Chloro-2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, identified by CAS 2223054-28-0, is a meticulously synthesized organic compound featuring a chlorinated, methylated, and cyanated benzene ring substituted with a pinacol boronate group. With a molecular formula of C14H17BClNO2 and a molecular weight of 277. 55, this compound serves as a key functionalized intermediate. Its boronic ester functionality makes it highly reactive in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, facilitating the introduction of aryl groups into various synthetic pathways.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
4-Chloro-2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, identified by CAS 2223054-28-0, is a meticulously synthesized organic compound featuring a chlorinated, methylated, and cyanated benzene ring substituted with a pinacol boronate group. With a molecular formula of C14H17BClNO2 and a molecular weight of 277.55, this compound serves as a key functionalized intermediate. Its boronic ester functionality makes it highly reactive in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, facilitating the introduction of aryl groups into various synthetic pathways. The presence of a nitrile group and a chlorine atom provides additional sites for further chemical transformations, making it a versatile reagent for constructing diverse chemical structures in academic and industrial research settings.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
140.0 °C
Boiling Point
400.0 °C
Density
1.2 g/cm³
Water Solubility
Insoluble
Flash Point
175.0 °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 4-Chloro-2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information before use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
Similar products (text references)
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.