≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | CCOC(=O)CC(=O)C(F)F |
|---|---|
| IUPAC Name | ethyl 4,4-difluoro-3-oxobutanoate |
| InChIKey | CBDPWKVOPADMJC-UHFFFAOYSA-N |
| INCHI | 1S/C6H8F2O3/c1-2-11-5(10)3-4(9)6(7)8/h6H,2-3H2,1H3 |
| Isómeros SMILES | CCOC(=O)CC(=O)C(F)F |
| WGK Alemania | 3 |
| Peso molecular | 166.12 |
| Reaxy-Rn | 1101515 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1101515&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 |
| Clase | 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 1,3-dicarbonyl compounds Alpha-haloketones Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-keto acid - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Alpha-haloketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Organohalogen compound - Organofluoride - Aliphatic acyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 G23211278 | Certificate of Analysis | Jul 26, 2023 | E598523 |
| G23211279 | Certificate of Analysis | Jul 26, 2023 | E598523 |
| G23211304 | Certificate of Analysis | Jul 26, 2023 | E598523 |
| Índice de refracción | 1.4 |
|---|---|
| Punto de inflamación (°F) | 154.4 °F |
| Punto de inflamación (°C) | 68°C |
| Punto de ebullición (°C) | 160°C |
| Punto de fusión (°C) | -46°C |
| Peso molecular | 166.120 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 166.044 Da |
| Monoisotopic Mass | 166.044 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 156.000 |
| 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 |
