≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504765783 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765783 |
| Canonical Smiles | CC(=O)C(=O)CBr |
| IUPAC Name | 1-bromobutane-2,3-dione |
| InChIKey | HOJZUQSKSVMXON-UHFFFAOYSA-N |
| INCHI | 1S/C4H5BrO2/c1-3(6)4(7)2-5/h2H2,1H3 |
| Isomeric SMILES | CC(=O)C(=O)CBr |
| Molecular Weight | 165 |
| Reaxy-Rn | 1743896 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743896&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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Alpha-diketones |
| Alternative Parents | Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-diketone - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2630084 | Certificate of Analysis | Feb 26, 2026 | B185016 |
| L2214088 | Certificate of Analysis | Sep 17, 2025 | B185016 |
| L2214132 | Certificate of Analysis | Sep 17, 2025 | B185016 |
| L2214148 | Certificate of Analysis | Sep 17, 2025 | B185016 |
| L2214149 | Certificate of Analysis | Sep 17, 2025 | B185016 |
| Molecular Weight | 164.990 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 163.947 Da |
| Monoisotopic Mass | 163.947 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 97.900 |
| 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 |
