Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Temperatura ambiente Ships Normal 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 | 504770613 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770613 |
| Sonrisas canónicas | C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)Br |
| IUPAC Name | 3-bromo-6-(trifluoromethyl)-1H-quinolin-4-one |
| InChIKey | PBWDPZFUWZPUKK-UHFFFAOYSA-N |
| INCHI | 1S/C10H5BrF3NO/c11-7-4-15-8-2-1-5(10(12,13)14)3-6(8)9(7)16/h1-4H,(H,15,16) |
| Isómeros SMILES | C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)Br |
| WGK Alemania | 3 |
| PubChem CID | 45599547 |
| Peso molecular | 292.05 |
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 | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolones |
| Alternative Parents | Haloquinolines Hydroquinolines Pyridines and derivatives Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Dihydroquinolone - Dihydroquinoline - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
| External Descriptors | Not available |
| Peso molecular | 292.050 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 290.951 Da |
| Monoisotopic Mass | 290.951 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 339.000 |
| 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 |