Chemical Identity
Molecular Formula
C16H21BFNO2
Molecular Weight
289.2 g/mol
Exact Mass
289.164937
PubChem CID
140694035
IUPAC Name
2-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpropanenitrile
SMILES String
CC(C)(C#N)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1
Names & Synonyms
External Identifiers
Catalog Overview
This compound, with CAS 1818210-26-2 and molecular formula C16H21BFNO2, is characterized by a phenyl ring substituted with a fluorine atom, a boronic acid pinacol ester, and a 2-methylpropanenitrile group. The boronic ester moiety makes it highly valuable for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The presence of fluorine can introduce specific electronic and steric properties, while the nitrile group offers further opportunities for derivatization or as a synthetic handle. It is primarily utilized as a research-use chemical intermediate in the development of complex organic...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
This compound, with CAS 1818210-26-2 and molecular formula C16H21BFNO2, is characterized by a phenyl ring substituted with a fluorine atom, a boronic acid pinacol ester, and a 2-methylpropanenitrile group. The boronic ester moiety makes it highly valuable for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The presence of fluorine can introduce specific electronic and steric properties, while the nitrile group offers further opportunities for derivatization or as a synthetic handle. It is primarily utilized as a research-use chemical intermediate in the development of complex organic molecules.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
95.0 °C
Boiling Point
350.0 °C
Density
1.15 g/cm³
Water Solubility
Insoluble
Flash Point
180.0 °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 thoroughly with water. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for detailed safety information before use.
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.