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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile - ≥97% , CAS No.1245831-55-3
Synonyms
1245831-55-3 | Z2044738495 | RRILNLLICJXSIA-UHFFFAOYSA-N | DTXSID00728676 | 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutane-1-carbonitrile | AKOS022178775 | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carbon
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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 Synonyms
1245831-55-3 | Z2044738495 | RRILNLLICJXSIA-UHFFFAOYSA-N | DTXSID00728676 | 1-(4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl)cyclobutane-1-carbonitrile | AKOS022178775 | 1-[4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carbon
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CCC3)C#N IUPAC Name 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carbonitrile InChIKey RRILNLLICJXSIA-UHFFFAOYSA-N INCHI 1S/C17H22BNO2/c1-15(2)16(3,4)21-18(20-15)14-8-6-13(7-9-14)17(12-19)10-5-11-17/h6-9H,5,10-11H2,1-4H3 Isomeric SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CCC3)C#N Alternate CAS 1245831-55-3 PubChem CID 58034663 Molecular Weight 283.18
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 Class Benzene and substituted derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzene and substituted derivatives Alternative Parents Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic metalloid salt - Oxacycle - Organic metalloid moeity - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 283.200 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 283.174 Da Monoisotopic Mass 283.174 Da Topological Polar Surface Area 42.300 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 437.000 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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