Chemical Identity
Molecular Formula
C13H15BClNO2
Molecular Weight
263.53 g/mol
Exact Mass
263.088437
PubChem CID
68182102
SMILES String
CC1(C)OB(c2ccc(Cl)cc2C#N)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organoboron compound characterized by a chlorobenzonitrile core substituted with a pinacol boronate ester at the ortho position to the nitrile group and a chlorine atom at the meta position. With a molecular formula of C13H15BClNO2 and a molecular weight of 263.53 g/mol, this compound serves as a key functionalized intermediate in synthetic chemistry. The pinacol boronate group is highly reactive in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the introduction of the substituted benzonitrile moiety into complex...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organoboron compound characterized by a chlorobenzonitrile core substituted with a pinacol boronate ester at the ortho position to the nitrile group and a chlorine atom at the meta position. With a molecular formula of C13H15BClNO2 and a molecular weight of 263.53 g/mol, this compound serves as a key functionalized intermediate in synthetic chemistry. The pinacol boronate group is highly reactive in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the introduction of the substituted benzonitrile moiety into complex molecular structures. The nitrile group can be further transformed, and the chlorine atom provides another site for potential functionalization or substitution reactions. This makes it a valuable reagent for constructing diverse organic molecules, including potential pharmaceutical intermediates and materials science compounds, within a research-use context.
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
2.63 × 10⁻⁴ mol/L
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 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 of dust or vapors. 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 comprehensive safety information before handling.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
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.