≥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.
| Canonical Smiles | CC(C)C(=O)OCC1=CN(N=N1)C2=CC(=C(C=C2)Cl)Cl |
|---|---|
| IUPAC Name | [1-(3,4-dichlorophenyl)triazol-4-yl]methyl 2-methylpropanoate |
| InChIKey | SJTDLPGUVFYOPB-UHFFFAOYSA-N |
| INCHI | 1S/C13H13Cl2N3O2/c1-8(2)13(19)20-7-9-6-18(17-16-9)10-3-4-11(14)12(15)5-10/h3-6,8H,7H2,1-2H3 |
| Isomeric SMILES | CC(C)C(=O)OCC1=CN(N=N1)C2=CC(=C(C=C2)Cl)Cl |
| PubChem CID | 1475840 |
| Molecular Weight | 314.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,3-triazoles |
| Alternative Parents | Dichlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,3-triazole - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 314.160 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 313.038 Da |
| Monoisotopic Mass | 313.038 Da |
| Topological Polar Surface Area | 57.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 344.000 |
| 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-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 2-methylpropanoate - ≥90% , CAS No.338419-42-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)