Chemical Identity
Molecular Formula
C14H17BFNO2
Molecular Weight
261.1 g/mol
Exact Mass
261.133637
PubChem CID
134128676
IUPAC Name
6-fluoro-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
SMILES String
Cc1ccc(F)c(C#N)c1B1OC(C)(C)C(C)(C)O1
Names & Synonyms
External Identifiers
Catalog Overview
2-Cyano-3-fluoro-6-methylphenylboronic acid pinacol ester (CAS 2253959-58-7) is a versatile organoboron compound with the molecular formula C14H17BFNO2 and a molecular weight of 261. 10. This compound features a phenyl ring substituted with a cyano group, a fluorine atom, a methyl group, and a pinacol boronic ester moiety. As a functionalized intermediate, it is primarily intended for research and development applications, particularly in organic synthesis.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-Cyano-3-fluoro-6-methylphenylboronic acid pinacol ester (CAS 2253959-58-7) is a versatile organoboron compound with the molecular formula C14H17BFNO2 and a molecular weight of 261.10. This compound features a phenyl ring substituted with a cyano group, a fluorine atom, a methyl group, and a pinacol boronic ester moiety. As a functionalized intermediate, it is primarily intended for research and development applications, particularly in organic synthesis. The boronic ester functionality allows for cross-coupling reactions, such as Suzuki-Miyaura coupling, while the cyano and fluoro groups offer additional sites for further chemical modifications or introduce specific electronic properties. Its structure suggests potential utility in the synthesis of complex molecules, including pharmaceuticals, agrochemicals, and materials science research.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
105.0 °C
Boiling Point
300.0 °C
Density
1.25 g/cm³
Water Solubility
Slightly soluble
Flash Point
170.0 °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 comprehensive safety information before handling.
Related Products / Graph Discovery
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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.