Chemical Identity
Molecular Formula
C12H13BClNO2
Molecular Weight
249.5 g/mol
Exact Mass
249.072787
PubChem CID
11622931
SMILES String
CC1(C)COB(c2cccc(Cl)c2C#N)OC1
Names & Synonyms
External Identifiers
Catalog Overview
2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile is a functionalized organic intermediate. This compound features a chlorobenzonitrile core substituted with a 5,5-dimethyl-1,3,2-dioxaborinane (neopentyl glycol boronate) group. Its unique structure makes it a valuable building block in organic synthesis, particularly for palladium-catalyzed cross-coupling reactions like the Suzuki-Miyaura coupling, enabling the construction of more complex molecular architectures for research purposes. The nitrile and chloro functionalities also provide additional sites for further chemical modifications.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline solid
Physical State
Solid
Melting Point
98.0 °C
Boiling Point
310.0 °C
Density
1.25 g/cm³
Water Solubility
2.04 × 10⁻⁴ mol/L
Flash Point
160.0 °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 2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile in a well-ventilated area or fume hood. Always wear appropriate personal protective equipment, including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Avoid inhalation of dust or vapors, ingestion, and direct skin or eye contact. Store the compound in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety and handling guidelines.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
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.