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· · COA & SDS available for every product · Same-day shipping on in-stock items (5-(Methoxycarbonyl)-2-methylphenyl)boronic acid - ≥98% , CAS No.876189-18-3
Synonyms
AKOS006308731 | 5-methoxycarbonyl-2-methylbenzeneboronic acid | BKB18918 | Methyl 3-borono-4-methylbenzoate | (5-methoxycarbonyl-2-methylphenyl)boronic acid | Y10593 | 5-METHOXYCARBONYL-2-METHYLPHENYLBORONIC ACID | AS-17689 | DTXSID30478955 | 3-borono-4-m
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Why this grade ≥98% 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
AKOS006308731 | 5-methoxycarbonyl-2-methylbenzeneboronic acid | BKB18918 | Methyl 3-borono-4-methylbenzoate | (5-methoxycarbonyl-2-methylphenyl)boronic acid | Y10593 | 5-METHOXYCARBONYL-2-METHYLPHENYLBORONIC ACID | AS-17689 | DTXSID30478955 | 3-borono-4-m
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles B(C1=C(C=CC(=C1)C(=O)OC)C)(O)O IUPAC Name (5-methoxycarbonyl-2-methylphenyl)boronic acid InChIKey PGNCKSWGMBDXGE-UHFFFAOYSA-N INCHI 1S/C9H11BO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5,12-13H,1-2H3 Isomeric SMILES B(C1=C(C=CC(=C1)C(=O)OC)C)(O)O Molecular Weight 193.99 Reaxy-Rn 10251603 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10251603&ln=
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 Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents Benzoyl derivatives Toluenes Methyl esters Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Benzoyl - Toluene - Methyl ester - Carboxylic acid ester - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. 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 193.990 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 194.075 Da Monoisotopic Mass 194.075 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 207.000 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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