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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 5-Cyano-2-fluorobenzeneboronic acid pinacolester - ≥97% , CAS No.863868-29-5
Synonyms
Benzonitrile, 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- | DTXSID10699287 | 5-Cyano-2-fluorophenylboronic Acid Pinacol Ester | 4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile | E90068 | SCHEMBL15549421 | 4-fluoro-3-(4,4
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
Benzonitrile, 4-fluoro-3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)- | DTXSID10699287 | 5-Cyano-2-fluorophenylboronic Acid Pinacol Ester | 4-Fluoro-3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)benzonitrile | E90068 | SCHEMBL15549421 | 4-fluoro-3-(4, 4
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
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Nombres e identificadores Sonrisas canónicas B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C#N)F IUPAC Name 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile InChIKey DCBKFUVWBRFDDD-UHFFFAOYSA-N INCHI 1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-7H,1-4H3 Isómeros SMILES B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C#N)F CAS alternativo 863868-29-5 PubChem CID 53426612 Peso molecular 247.07
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Clase Benzene and substituted derivatives Subclass Benzonitriles Intermediate Tree Nodes Not available Direct Parent Benzonitriles Alternative Parents Fluorobenzenes Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Organopnictogen compounds Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 247.070 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 247.118 Da Monoisotopic Mass 247.118 Da Topological Polar Surface Area 42.300 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 360.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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