Chemical Identity
Molecular Formula
C13H15BClNO2
Molecular Weight
263.53 g/mol
Exact Mass
263.088437
PubChem CID
53415021
SMILES String
CC1(C)OB(c2cc(C#N)ccc2Cl)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 863868-30-8, is a versatile organic building block for research and development. It combines a chlorobenzonitrile moiety with a pinacol boronate ester, making it highly valuable in synthetic chemistry. The boronate ester group is a common nucleophilic partner in Suzuki-Miyaura cross-coupling reactions, allowing for the formation of new carbon-carbon bonds with aryl or vinyl halides. The presence of both a chlorine atom and a nitrile group on the benzene ring provides additional handles for further functionalization or modification, enabling the...
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4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 863868-30-8, is a versatile organic building block for research and development. It combines a chlorobenzonitrile moiety with a pinacol boronate ester, making it highly valuable in synthetic chemistry. The boronate ester group is a common nucleophilic partner in Suzuki-Miyaura cross-coupling reactions, allowing for the formation of new carbon-carbon bonds with aryl or vinyl halides. The presence of both a chlorine atom and a nitrile group on the benzene ring provides additional handles for further functionalization or modification, enabling the synthesis of complex molecules. This compound is typically employed as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials for research purposes.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White solid
Physical State
Solid
Melting Point
56.0 °C
Boiling Point
307.0 °C
Density
1.3 g/cm³
Water Solubility
2.88 × 10⁻⁴ mol/L
Flash Point
133.0 °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 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. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. For research use only.
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