Chemical Identity
Molecular Formula
C13H13BF3NO2
Molecular Weight
283.06 g/mol
Exact Mass
283.099143
PubChem CID
11536491
SMILES String
CC1(C)COB(c2ccc(C(F)(F)F)cc2C#N)OC1
Names & Synonyms
External Identifiers
Catalog Overview
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 883898-98-4, is a versatile research chemical with the molecular formula C13H13BF3NO2 and a molecular weight of 283. 06. This compound incorporates a 5,5-dimethyl-1,3,2-dioxaborinane (neopentyl glycol boronate) moiety, a trifluoromethyl group, and a nitrile group attached to a benzene core. These distinct functional groups make it a valuable building block in complex organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions where the boronate ester can react with aryl halides or triflates to form new carbon-carbon bonds.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 883898-98-4, is a versatile research chemical with the molecular formula C13H13BF3NO2 and a molecular weight of 283.06. This compound incorporates a 5,5-dimethyl-1,3,2-dioxaborinane (neopentyl glycol boronate) moiety, a trifluoromethyl group, and a nitrile group attached to a benzene core. These distinct functional groups make it a valuable building block in complex organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions where the boronate ester can react with aryl halides or triflates to form new carbon-carbon bonds. The trifluoromethyl group can impart unique electronic and steric properties, while the nitrile group offers further synthetic handles.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white solid
Physical State
solid
Melting Point
151.0 °C
Boiling Point
271.0 °C
Density
1.3 g/cm³
Water Solubility
6.03 × 10⁻⁴ mol/L
Flash Point
195.0 °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-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of exposure, seek immediate medical attention. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information.
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.