≥90% 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.
| Sonrisas canónicas | CC1=C(N=NN1C2=CC=C(C=C2)C(=O)C)C(=O)C3=C(C=C(C=C3)Cl)Cl |
|---|---|
| IUPAC Name | 1-[4-[4-(2,4-dichlorobenzoyl)-5-methyltriazol-1-yl]phenyl]ethanone |
| InChIKey | RUQKJEGQRIFDDM-UHFFFAOYSA-N |
| INCHI | 1S/C18H13Cl2N3O2/c1-10-17(18(25)15-8-5-13(19)9-16(15)20)21-22-23(10)14-6-3-12(4-7-14)11(2)24/h3-9H,1-2H3 |
| Isómeros SMILES | CC1=C(N=NN1C2=CC=C(C=C2)C(=O)C)C(=O)C3=C(C=C(C=C3)Cl)Cl |
| PubChem CID | 4555844 |
| Peso molecular | 374.23 |
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 |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Aryl-phenylketones Phenyl-1,2,3-triazoles Acetophenones Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Aryl-phenylketone - Phenyl-1,2,3-triazole - Phenyltriazole - Acetophenone - Benzoyl - 1,3-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Triazole - 1,2,3-triazole - Organoheterocyclic compound - Azacycle - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 374.200 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 373.038 Da |
| Monoisotopic Mass | 373.038 Da |
| Topological Polar Surface Area | 64.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 511.000 |
| 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 |
![1-{4-[4-(2,4-dichlorobenzoyl)-5-methyl-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone - ≥90% CAS No(478041-40-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D935141.jpg)