≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CCOC(=O)C(C(=O)C)(Cl)Cl |
|---|---|
| IUPAC Name | ethyl 2,2-dichloro-3-oxobutanoate |
| InChIKey | BLLMZKROLCVGEC-UHFFFAOYSA-N |
| INCHI | 1S/C6H8Cl2O3/c1-3-11-5(10)6(7,8)4(2)9/h3H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C(C(=O)C)(Cl)Cl |
| UN Number | 2920 |
| Packing Group | II |
| Molecular Weight | 199.03 |
| Reaxy-Rn | 1769743 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1769743&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 | Beta-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta-keto acids and derivatives |
| Alternative Parents | Fatty acid esters Alpha-halocarboxylic acid derivatives Alpha-chloroketones Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-keto acid - Fatty acid ester - Fatty acyl - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Alpha-haloketone - Alpha-chloroketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. |
| 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 |
|---|---|---|---|
 L2412038 | Certificate of Analysis | Dec 13, 2024 | E194196 |
| L2412041 | Certificate of Analysis | Dec 13, 2024 | E194196 |
| L2405315 | Certificate of Analysis | Dec 07, 2024 | E194196 |
| L2405316 | Certificate of Analysis | Dec 07, 2024 | E194196 |
| L2405317 | Certificate of Analysis | Dec 07, 2024 | E194196 |
| L2405319 | Certificate of Analysis | Dec 07, 2024 | E194196 |
| L2405320 | Certificate of Analysis | Dec 07, 2024 | E194196 |
| L2405321 | Certificate of Analysis | Dec 07, 2024 | E194196 |
| Molecular Weight | 199.030 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 197.985 Da |
| Monoisotopic Mass | 197.985 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 177.000 |
| 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 |
