Chemical Identity
Molecular Formula
C13H15BClNO2
Molecular Weight
263.53 g/mol
Exact Mass
263.088437
PubChem CID
74789414
SMILES String
CC1(C)OB(c2cccc(Cl)c2C#N)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organoboron compound characterized by a chlorinated benzonitrile core and a pinacol boronate ester substituent. With a molecular formula of C13H15BClNO2 and a molecular weight of 263. 53, this compound serves as a key functionalized intermediate in various synthetic routes. The boronate ester group makes it particularly useful in 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
2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organoboron compound characterized by a chlorinated benzonitrile core and a pinacol boronate ester substituent. With a molecular formula of C13H15BClNO2 and a molecular weight of 263.53, this compound serves as a key functionalized intermediate in various synthetic routes. The boronate ester group makes it particularly useful in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The presence of the nitrile and chloro groups offers additional handles for further chemical transformations, making it a valuable reagent for constructing complex organic molecules in research and development settings. This product is for research use only.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
105.0 °C
Boiling Point
320.0 °C
Density
1.3 g/cm³
Water Solubility
Slightly soluble to insoluble
Flash Point
170.0 °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 with appropriate personal protective equipment, 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. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.
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