≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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.
| Canonical Smiles | CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(F)(F)F |
|---|---|
| IUPAC Name | 5-methyl-1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide |
| InChIKey | SOTAAWNXWQDRMZ-UHFFFAOYSA-N |
| INCHI | 1S/C17H12F3N5O3/c1-10-21-15(23-24(10)13-5-7-14(8-6-13)25(27)28)16(26)22-12-4-2-3-11(9-12)17(18,19)20/h2-9H,1H3,(H,22,26) |
| Isomeric SMILES | CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(F)(F)F |
| PubChem CID | 5144251 |
| Molecular Weight | 391.31 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Phenyl-1,2,4-triazoles Trifluoromethylbenzenes Nitrobenzenes 2-heteroaryl carboxamides Nitroaromatic compounds Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - Phenyltriazole - Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Nitrobenzene - 2-heteroaryl carboxamide - Nitroaromatic compound - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Alkyl fluoride - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 391.300 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 391.089 Da |
| Monoisotopic Mass | 391.089 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 577.000 |
| 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 |
![5-methyl-1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxamide - ≥90% , CAS No.321431-13-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)