≥98% 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Introduction
Trifluoroacetylacetone is called trifluoroacetylacetone (TFAA). The molecular structure of 1,1,1-trifluoro-pentane-2,4-dione has been studied by density functional theory (DFT) calculations.
Application
Trifluoroacetylacetone has been used as a reagent for the preparation of 2-alkylcarbonyl and 2-benzoyl-3-trifluoromethylquinoxaline 1,4-di-N-oxide derivatives.
| Pubchem Sid | 504754755 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754755 |
| Canonical Smiles | CC(=O)CC(=O)C(F)(F)F |
| IUPAC Name | 1,1,1-trifluoropentane-2,4-dione |
| InChIKey | SHXHPUAKLCCLDV-UHFFFAOYSA-N |
| INCHI | 1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3 |
| Isomeric SMILES | CC(=O)CC(=O)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 73943 |
| UN Number | 1224 |
| Molecular Weight | 154.09 |
| Beilstein | 1705177 |
| Reaxy-Rn | 1705177 |
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 | 1,3-dicarbonyl compounds |
| Direct Parent | Beta-diketones |
| Alternative Parents | Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,3-diketone - Alpha-haloketone - Ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single 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 |
|---|---|---|---|
 E2628508 | Certificate of Analysis | Apr 30, 2026 | T105006 |
| E2628510 | Certificate of Analysis | Apr 30, 2026 | T105006 |
| I2423560 | Certificate of Analysis | Jun 24, 2024 | T105006 |
| I2423561 | Certificate of Analysis | Jun 24, 2024 | T105006 |
| I2423562 | Certificate of Analysis | Jun 24, 2024 | T105006 |
| A2517060 | Certificate of Analysis | Feb 07, 2023 | T105006 |
| C23021228 | Certificate of Analysis | Feb 07, 2023 | T105006 |
| C23021268 | Certificate of Analysis | Feb 07, 2023 | T105006 |
| C23021269 | Certificate of Analysis | Feb 07, 2023 | T105006 |
| K2525165 | Certificate of Analysis | Feb 07, 2023 | T105006 |
| L2510052 | Certificate of Analysis | Feb 07, 2023 | T105006 |
| C1828108 | Certificate of Analysis | Jan 26, 2022 | T105006 |
| Solubility | Soluble in water (slightly) and many organic solvents. |
|---|---|
| Sensitivity | Air Sensitive |
| Refractive Index | 1.388 |
| Flash Point(°F) | 78.8 °F |
| Flash Point(°C) | 26 °C |
| Boil Point(°C) | 105-107°C |
| Molecular Weight | 154.090 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 154.024 Da |
| Monoisotopic Mass | 154.024 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| 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 |
| 1. Qiuping Li. (2018) Multifunctional Ionogels Incorporated with Lanthanide (Eu3+, Tb3+) Complexes Covalently Modified Multi-Walled Carbon Nanotubes. Polymers, 10 (10): (1099). [PMID:30961024] [10.3390/polym10101099] |
| 2. Ge Xiaoqian, Sun Lining, Dang Song, Liu Jinliang, Xu Yanxia, Wei Zuwu, Shi Liyi, Zhang Hongjie. (2015) Mesoporous upconversion nanoparticles modified with a Tb(III) complex to display both green upconversion and downconversion luminescence for in vitro bioimaging and sensing of temperature. MICROCHIMICA ACTA, 182 (9): (1653-1660). [PMID:] [10.1007/s00604-015-1481-0] |
| 3. Bing Yan, Qiu-Ping Li. (2014) Photofunctional hybrids of lanthanide (Eu3+, Tb3+)/beta-diketonate functionalized MCM-41/SBA-15 mesoporous host prepared with 1,4,7,10-tetraazacyclododecane modified siloxane as covalent linkage. MICROPOROUS AND MESOPOROUS MATERIALS, [PMID:] [10.1016/j.micromeso.2014.05.033] |
| 4. Yan Zhao, Bing Yan. (2013) Eu3+, Tb3+/β-diketonate functionalized mesoporous SBA-15/GaN composites: Multi-component chemical bonding assembly, characterization, and luminescence. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:23374434] [10.1016/j.jcis.2012.12.065] |
| 5. Qiu-Ping Li, Bing Yan. (2012) Multi-walled carbon nanotube-based ternary rare earth (Eu3+, Tb3+) hybrid materials with organically modified silica–oxygen bridge. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:22695733] [10.1016/j.jcis.2012.04.038] |
| 6. Li Qiu-Ping, Yan Bing. (2014) Luminescent nanoparticles prepared by encapsulating lanthanide chelates to silica sphere. COLLOID AND POLYMER SCIENCE, 292 (6): (1385-1393). [PMID:] [10.1007/s00396-014-3196-x] |
