≥80% 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.
| Pubchem Sid | 488189622 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189622 |
| Canonical Smiles | COC(=O)C(=O)CBr |
| IUPAC Name | methyl 3-bromo-2-oxopropanoate |
| InChIKey | MQONVZMIFQQQHA-UHFFFAOYSA-N |
| INCHI | 1S/C4H5BrO3/c1-8-4(7)3(6)2-5/h2H2,1H3 |
| Isomeric SMILES | COC(=O)C(=O)CBr |
| WGK Germany | 3 |
| Molecular Weight | 180.99 |
| Beilstein | 1754890 |
| Reaxy-Rn | 1754888 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754888&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 | Keto acids and derivatives |
| Subclass | Alpha-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-keto acids and derivatives |
| Alternative Parents | Methyl esters Alpha-haloketones Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-keto acid - Alpha-haloketone - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Organobromide - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. |
| 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 |
|---|---|---|---|
 C2329372 | Certificate of Analysis | Apr 09, 2023 | M572938 |
| C2329375 | Certificate of Analysis | Apr 09, 2023 | M572938 |
| C2329432 | Certificate of Analysis | Apr 09, 2023 | M572938 |
| C2329371 | Certificate of Analysis | Apr 08, 2023 | M572938 |
| C2329373 | Certificate of Analysis | Apr 08, 2023 | M572938 |
| C2329374 | Certificate of Analysis | Apr 08, 2023 | M572938 |
| C2329445 | Certificate of Analysis | Apr 08, 2023 | M572938 |
| C2525295 | Certificate of Analysis | Apr 08, 2023 | M572938 |
| Sensitivity | Sensitive to light, heat and humidity |
|---|---|
| Refractive Index | 1.48 |
| Flash Point(°F) | 257 °F |
| Flash Point(°C) | 125°C |
| Boil Point(°C) | 84°C |
| Melt Point(°C) | 5°C |
| Molecular Weight | 180.980 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 179.942 Da |
| Monoisotopic Mass | 179.942 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 |
