Chemical Identity
Molecular Formula
C10H17BClNO2
Molecular Weight
229.51 g/mol
Exact Mass
229.104087
PubChem CID
155822014
SMILES String
CC1(C)OB(C(Cl)CCC#N)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile, identified by CAS 2113610-44-7, is an organoboron compound containing a nitrile and a chlorine atom. Its molecular formula is C10H17BClNO2 and its molecular weight is approximately 229. 51 g/mol. The presence of the 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group makes it suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, while the chloro and nitrile functionalities offer additional sites for further chemical transformations.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile, identified by CAS 2113610-44-7, is an organoboron compound containing a nitrile and a chlorine atom. Its molecular formula is C10H17BClNO2 and its molecular weight is approximately 229.51 g/mol. The presence of the 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group makes it suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, while the chloro and nitrile functionalities offer additional sites for further chemical transformations. This compound serves as a valuable intermediate in the synthesis of more complex molecules within academic and industrial research settings.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
Colorless liquid
Physical State
Liquid
Melting Point
5.0 °C
Boiling Point
275.0 °C
Density
1.15 g/cm³
Water Solubility
Insoluble
Flash Point
105.0 °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 4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile 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 contact, wash thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.
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Related CAS / Similar Products
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Catalog discovery cues, not supplier-verified claims.
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