≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CC(=O)CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F |
|---|---|
| IUPAC Name | N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide |
| InChIKey | GNYIJZMBLZXJEJ-UHFFFAOYSA-N |
| INCHI | 1S/C11H9ClF3NO2/c1-6(17)4-10(18)16-7-2-3-9(12)8(5-7)11(13,14)15/h2-3,5H,4H2,1H3,(H,16,18) |
| Isomeric SMILES | CC(=O)CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F |
| Molecular Weight | 279.64 |
| Reaxy-Rn | 15650571 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15650571&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Anilides N-arylamides Chlorobenzenes Fatty amides Aryl chlorides 1,3-dicarbonyl compounds Secondary carboxylic acid amides Ketones Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Anilide - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Fatty amide - Fatty acyl - 1,3-dicarbonyl compound - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organofluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| 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 |
|---|---|---|---|
 J2130622 | Certificate of Analysis | Aug 14, 2024 | F288256 |
| J2130624 | Certificate of Analysis | Aug 14, 2024 | F288256 |
| J2130625 | Certificate of Analysis | Aug 14, 2024 | F288256 |
| J2130626 | Certificate of Analysis | Aug 14, 2024 | F288256 |
| J2130627 | Certificate of Analysis | Aug 14, 2024 | F288256 |
| J2130628 | Certificate of Analysis | Aug 14, 2024 | F288256 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 27.96, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 27.96, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 279.640 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 279.027 Da |
| Monoisotopic Mass | 279.027 Da |
| Topological Polar Surface Area | 46.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 333.000 |
| 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 |
