Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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 | C[Si](C)(C)C#CC(=O)CBr |
|---|---|
| IUPAC Name | 1-bromo-4-trimethylsilylbut-3-yn-2-one |
| InChIKey | AUXMRAOWTLDXNT-UHFFFAOYSA-N |
| INCHI | 1S/C7H11BrOSi/c1-10(2,3)5-4-7(9)6-8/h6H2,1-3H3 |
| Isómeros SMILES | C[Si](C)(C)C#CC(=O)CBr |
| Peso molecular | 219.15 |
| Reaxy-Rn | 9190133 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9190133&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 oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Alpha-haloketones |
| Alternative Parents | Alpha,beta-unsaturated ketones Trialkylsilanes Organic metalloid salts Haloacetylenes and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-haloketone - Alpha,beta-unsaturated ketone - Trialkylsilane - Haloacetylene or derivatives - Organic metalloid salt - Organic oxide - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group. |
| External Descriptors | Not available |
| Peso molecular | 219.150 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 217.976 Da |
| Monoisotopic Mass | 217.976 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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 |