≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
| Canonical Smiles | C1=CC(=CC=C1C(=O)CC(=O)C(F)(F)F)F |
|---|---|
| IUPAC Name | 4,4,4-trifluoro-1-(4-fluorophenyl)butane-1,3-dione |
| InChIKey | KEZLARPKXOHKJS-UHFFFAOYSA-N |
| INCHI | 1S/C10H6F4O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2 |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)CC(=O)C(F)(F)F)F |
| PubChem CID | 2771476 |
| Molecular Weight | 234.15 |
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 - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Butyrophenones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Beta-diketones Aryl fluorides Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - 1,3-diketone - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| 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 |
|---|---|---|---|
 H2529771 | Certificate of Analysis | Jun 05, 2025 | T770139 |
| H2529772 | Certificate of Analysis | Jun 05, 2025 | T770139 |
| H2529774 | Certificate of Analysis | Jun 05, 2025 | T770139 |
| H2529776 | Certificate of Analysis | Jun 05, 2025 | T770139 |
| Molecular Weight | 234.150 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 234.03 Da |
| Monoisotopic Mass | 234.03 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 277.000 |
| 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 |
