for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | B(CCCCCCCCCCCCCCCCCC)(O)O |
|---|---|
| IUPAC Name | octadecylboronic acid |
| InChIKey | HGDBMZFQJKWYNK-UHFFFAOYSA-N |
| INCHI | 1S/C18H39BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h20-21H,2-18H2,1H3 |
| Isomeric SMILES | B(CCCCCCCCCCCCCCCCCC)(O)O |
| Reaxy-Rn | 1772489 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1772489&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 | Organic acids and derivatives |
| Class | Boronic acid derivatives |
| Subclass | Boronic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Boronic acids |
| Alternative Parents | Organic metalloid salts Organic oxygen compounds Monoalkylboranes Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Boronic acid - Organic metalloid salt - Organic oxygen compound - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organic salt - Organoboron compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R'=alkyl, aryl). |
| External Descriptors | Not available |
| Boil Point(°C) | ~419° C at 760 mmHg (Predicted) |
|---|---|
| Melt Point(°C) | 169.03° C (Predicted) |
| Molecular Weight | 298.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 17 |
| Exact Mass | 298.304 Da |
| Monoisotopic Mass | 298.304 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |
