Chemical Identity
Molecular Formula
C13H15BClNO2
Molecular Weight
263.53 g/mol
Exact Mass
263.088437
PubChem CID
53217129
IUPAC Name
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
SMILES String
CC1(C)OB(c2cc(Cl)cc(C#N)c2)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
3-Chloro-5-cyanophenylboronic acid, pinacol ester (CAS: 1212021-11-8) is an organoboron compound featuring a phenyl ring substituted with a chloro group, a cyano group, and a pinacol boronic ester. With a molecular formula of C13H15BClNO2 and a molecular weight of 263. 53, this compound serves as a versatile building block in synthetic organic chemistry. The pinacol ester protects the boronic acid, enhancing its stability and ease of handling, while the chloro and cyano functionalities offer additional sites for further chemical transformations.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-Chloro-5-cyanophenylboronic acid, pinacol ester (CAS: 1212021-11-8) is an organoboron compound featuring a phenyl ring substituted with a chloro group, a cyano group, and a pinacol boronic ester. With a molecular formula of C13H15BClNO2 and a molecular weight of 263.53, this compound serves as a versatile building block in synthetic organic chemistry. The pinacol ester protects the boronic acid, enhancing its stability and ease of handling, while the chloro and cyano functionalities offer additional sites for further chemical transformations. It is primarily utilized as a functionalized intermediate in the synthesis of complex molecules for research purposes.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
56.0 °C
Boiling Point
307.0 °C
Density
1.3 g/cm³
Water Solubility
2.82 × 10⁻⁴ mol/L
Flash Point
165.0 °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
- When handling 3-Chloro-5-cyanophenylboronic acid, pinacol ester, researchers should: Wear appropriate PPE, including safety goggles, gloves, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation exposure. Avoid contact with skin and eyes; in case of contact, rinse immediately with plenty of water and seek medical advice. Avoid ingestion and inhalation. Store properly, keeping the container tightly closed in a cool, dry place, away from incompatible materials. Handle with care, as with many organic reagents, it may cause irritation. Consult the Safety Data Sheet (SDS) for detailed hazard information and precautions.
Related Products / Graph Discovery
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