≥97% 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 | CCOC(=O)C1=C(NC(=N1)C2=CC=C(C=C2)OC(F)(F)F)C |
|---|---|
| IUPAC Name | ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-4-carboxylate |
| InChIKey | NXBWBOSSEPATOL-UHFFFAOYSA-N |
| INCHI | 1S/C14H13F3N2O3/c1-3-21-13(20)11-8(2)18-12(19-11)9-4-6-10(7-5-9)22-14(15,16)17/h4-7H,3H2,1-2H3,(H,18,19) |
| Isómeros SMILES | CCOC(=O)C1=C(NC(=N1)C2=CC=C(C=C2)OC(F)(F)F)C |
| CAS alternativo | 868851-35-8 |
| PubChem CID | 53404402 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | 2,4,5-trisubstituted imidazoles Phenoxy compounds Phenol ethers Carbonylimidazoles Vinylogous amides Heteroaromatic compounds Trihalomethanes Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organopnictogen compounds Organofluorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylimidazole - 2,4,5-trisubstituted-imidazole - Phenoxy compound - Phenol ether - Trisubstituted imidazole - Imidazole-4-carbonyl group - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Trihalomethane - Carboxylic acid derivative - Azacycle - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Peso molecular | 314.260 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 314.088 Da |
| Monoisotopic Mass | 314.088 Da |
| Topological Polar Surface Area | 64.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| 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 |
![ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-4-carboxylate - ≥97% , CAS No.868851-35-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)