≥95% 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 | B(C1=CC(=CC(=C1OCCCC)C=O)C)(O)O |
|---|---|
| IUPAC Name | (2-butoxy-3-formyl-5-methylphenyl)boronic acid |
| InChIKey | FADIVFIMGQEBIO-UHFFFAOYSA-N |
| INCHI | 1S/C12H17BO4/c1-3-4-5-17-12-10(8-14)6-9(2)7-11(12)13(15)16/h6-8,15-16H,3-5H2,1-2H3 |
| Isómeros SMILES | B(C1=CC(=CC(=C1OCCCC)C=O)C)(O)O |
| WGK Alemania | 3 |
| Peso molecular | 236.07 |
| Reaxy-Rn | 23599427 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23599427&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzoyl derivatives Benzaldehydes Toluenes Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Toluene - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organooxygen compound - Organic salt - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organoboron compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 77-82 °C |
|---|---|
| Peso molecular | 236.070 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 236.122 Da |
| Monoisotopic Mass | 236.122 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| 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 |
