≥95% 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 | COC(=O)C1=NN(C=N1)CC2=C(C=C(C=C2)F)C#N |
|---|---|
| IUPAC Name | methyl 1-[(2-cyano-4-fluorophenyl)methyl]-1,2,4-triazole-3-carboxylate |
| InChIKey | JARVAGYVKCJWDV-UHFFFAOYSA-N |
| INCHI | 1S/C12H9FN4O2/c1-19-12(18)11-15-7-17(16-11)6-8-2-3-10(13)4-9(8)5-14/h2-4,7H,6H2,1H3 |
| Peso molecular | 260.220 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Fluorobenzenes Aryl fluorides Triazoles Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Methyl ester - 1,2,4-triazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
| Peso molecular | 260.220 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 260.071 Da |
| Monoisotopic Mass | 260.071 Da |
| Topological Polar Surface Area | 80.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 383.000 |
| 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 |
![methyl 1-[(2-cyano-4-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate - ≥95% , CAS No.1376238-83-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)