≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)C(=O)OC |
|---|---|
| IUPAC Name | methyl 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChIKey | DTQHAEYLCILHNJ-UHFFFAOYSA-N |
| INCHI | 1S/C14H18BClO4/c1-13(2)14(3,4)20-15(19-13)11-7-6-9(16)8-10(11)12(17)18-5/h6-8H,1-5H3 |
| Isómeros SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)C(=O)OC |
| PubChem CID | 69201504 |
| Peso molecular | 296.55 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 3-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Methyl esters Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organoboron compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Methyl ester - 1,3,2-dioxaborolane - Boronic acid ester - Carboxylic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organochloride - Organoboron compound - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 296.550 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 296.099 Da |
| Monoisotopic Mass | 296.099 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 369.000 |
| 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 |
