≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)CBr |
|---|---|
| IUPAC Name | 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone |
| InChIKey | ZEKBFXJTIAEUOF-UHFFFAOYSA-N |
| INCHI | 1S/C10H5BrF6O/c11-4-8(18)5-1-6(9(12,13)14)3-7(2-5)10(15,16)17/h1-3H,4H2 |
| Isomeric SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)CBr |
| Molecular Weight | 335.04 |
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 | Trifluoromethylbenzenes Benzoyl derivatives Aryl alkyl ketones Alpha-haloketones Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Trifluoromethylbenzene - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Alkyl fluoride - Organofluoride - Organobromide - Organohalogen compound - Alkyl bromide - Alkyl halide - Organic oxide - Hydrocarbon derivative - 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 |
|---|---|---|---|
 A2615582 | Certificate of Analysis | Nov 25, 2025 | P699996 |
| A2615583 | Certificate of Analysis | Nov 25, 2025 | P699996 |
| A2615584 | Certificate of Analysis | Nov 25, 2025 | P699996 |
| A2615586 | Certificate of Analysis | Nov 25, 2025 | P699996 |
| Melt Point(°C) | 49-51 |
|---|---|
| Molecular Weight | 335.040 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 333.943 Da |
| Monoisotopic Mass | 333.943 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 288.000 |
| 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 |
