Chemical Identity
Molecular Formula
C14H17BFNO2
Molecular Weight
261.1 g/mol
Exact Mass
261.133637
PubChem CID
54759097
IUPAC Name
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
SMILES String
CC1(C)OB(c2ccc(CC#N)c(F)c2)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, with CAS 1220219-61-3, is a sophisticated organic compound designed for research and development applications. It features a phenyl ring substituted with a fluorine atom, an acetonitrile group, and a pinacol boronic ester. The boronic ester moiety is highly reactive in Suzuki-Miyaura coupling reactions, enabling the formation of new carbon-carbon bonds with aryl or vinyl halides. The presence of the fluorine atom can influence physicochemical properties and reactivity, while the acetonitrile group provides another functional handle for further...
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Read more catalog context
2-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, with CAS 1220219-61-3, is a sophisticated organic compound designed for research and development applications. It features a phenyl ring substituted with a fluorine atom, an acetonitrile group, and a pinacol boronic ester. The boronic ester moiety is highly reactive in Suzuki-Miyaura coupling reactions, enabling the formation of new carbon-carbon bonds with aryl or vinyl halides. The presence of the fluorine atom can influence physicochemical properties and reactivity, while the acetonitrile group provides another functional handle for further derivatization. This compound is primarily utilized as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White solid
Physical State
Solid
Melting Point
47.0 °C
Boiling Point
313.0 °C
Density
1.2 g/cm³
Water Solubility
5.25 × 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. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.