≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | 488184358 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184358 |
| Sorrisos canónicos | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone |
| InChIKey | QADCNGZPRUSTJL-UHFFFAOYSA-N |
| INCHI | 1S/C8H4F3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4H |
| SMILES isoméricas | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F |
| PubChem CID | 69566 |
| Peso molecular | 219.12 |
| Reaxy-Rn | 1881677 |
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 |
| Classe | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Alpha-haloketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Descrição | 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 | Data | Item |
|---|---|---|---|
 B2325138 | Certificate of Analysis | Dec 22, 2025 | T405034 |
| B2325114 | Certificate of Analysis | Dec 22, 2025 | T405034 |
| B2325113 | Certificate of Analysis | Dec 22, 2025 | T405034 |
| B2325090 | Certificate of Analysis | Dec 22, 2025 | T405034 |
| B23241292 | Certificate of Analysis | Dec 22, 2025 | T405034 |
| B23241282 | Certificate of Analysis | Dec 22, 2025 | T405034 |
| B2528647 | Certificate of Analysis | Nov 01, 2022 | T405034 |
| K2510069 | Certificate of Analysis | Nov 01, 2022 | T405034 |
| Solubilidade | Soluble in Methanol |
|---|---|
| Ponto de ebulição (°C) | 113 °C/12 mmHg |
| Ponto de fusão (°C) | 56 °C |
| Peso molecular | 219.120 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 219.014 Da |
| Monoisotopic Mass | 219.014 Da |
| Topological Polar Surface Area | 62.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| 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 |
