≥96% 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 | CC(=O)NC1=C(C=C(C=C1)Br)C(F)(F)F |
|---|---|
| IUPAC Name | N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide |
| InChIKey | NJOVPNJSJCCCEC-UHFFFAOYSA-N |
| INCHI | 1S/C9H7BrF3NO/c1-5(15)14-8-3-2-6(10)4-7(8)9(11,12)13/h2-4H,1H3,(H,14,15) |
| Isomeric SMILES | CC(=O)NC1=C(C=C(C=C1)Br)C(F)(F)F |
| PubChem CID | 2773417 |
| Molecular Weight | 282.06 |
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 | Anilides |
| Intermediate Tree Nodes | Acetanilides - Haloacetanilides |
| Direct Parent | P-haloacetanilides |
| Alternative Parents | Trifluoromethylbenzenes N-acetylarylamines Bromobenzenes Aryl bromides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-haloacetanilide - Trifluoromethylbenzene - N-acetylarylamine - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn para-substituted with a halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 282.060 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 280.966 Da |
| Monoisotopic Mass | 280.966 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 244.000 |
| 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 |
