Chemical Identity
Molecular Formula
C13H15BClNO2
Molecular Weight
263.53 g/mol
Exact Mass
263.088437
PubChem CID
52988025
SMILES String
CC1(C)OB(c2ccc(C#N)cc2Cl)OC1(C)C
Names & Synonyms
Show all synonyms
External Identifiers
Catalog Overview
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a versatile organic building block with the molecular formula C13H15BClNO2 and a molecular weight of 263. 53 g/mol. It incorporates a chlorinated aromatic ring, a nitrile functionality, and a pinacol boronate ester. The boronate ester group is particularly useful for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a versatile organic building block with the molecular formula C13H15BClNO2 and a molecular weight of 263.53 g/mol. It incorporates a chlorinated aromatic ring, a nitrile functionality, and a pinacol boronate ester. The boronate ester group is particularly useful for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The chloro and cyano groups offer additional sites for further functionalization or serve as key structural elements in target molecules. This compound is suitable for research and development applications in medicinal chemistry, materials science, and synthetic methodology.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline solid
Physical State
Solid
Melting Point
56.0 °C
Boiling Point
307.0 °C
Density
1.3 g/cm³
Water Solubility
3.02 × 10⁻⁴ mol/L
Flash Point
130.0 °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 3-Chloro-4-(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. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information. This product is for research use only and not for human or animal therapeutic or diagnostic use.
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.