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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Canonical Smiles | B1(OC(C(O1)(C)C)(C)C)C#CCOCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 4,4,5,5-tetramethyl-2-(3-phenylmethoxyprop-1-ynyl)-1,3,2-dioxaborolane |
| InChIKey | BGKRWCHUAGKXFM-UHFFFAOYSA-N |
| INCHI | 1S/C16H21BO3/c1-15(2)16(3,4)20-17(19-15)11-8-12-18-13-14-9-6-5-7-10-14/h5-7,9-10H,12-13H2,1-4H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C#CCOCC2=CC=CC=C2 |
| PubChem CID | 75175979 |
| Molecular Weight | 272.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylethers |
| Alternative Parents | Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Haloacetylenes and derivatives Dialkyl ethers Organoboron compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylether - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Haloacetylene or derivatives - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). |
| External Descriptors | Not available |
| Molecular Weight | 272.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 272.158 Da |
| Monoisotopic Mass | 272.158 Da |
| Topological Polar Surface Area | 27.700 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 |