Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% 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 | C1(=O)NC(=O)NN1 |
|---|---|
| IUPAC Name | 1,2,4-triazolidine-3,5-dione |
| InChIKey | UDATXMIGEVPXTR-UHFFFAOYSA-N |
| INCHI | 1S/C2H3N3O2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7) |
| Isomeric SMILES | C1(=O)NC(=O)NN1 |
| WGK Germany | 3 |
| PubChem CID | 72916 |
| Molecular Weight | 101.07 |
| Beilstein | 26192 |
| Reaxy-Rn | 113440 |
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 | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Triazolidines |
| Intermediate Tree Nodes | Triazolidinones |
| Direct Parent | Urazoles |
| Alternative Parents | Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Urazole - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as urazoles. These are organonitrogen compounds containing a 1,3,4-triazolidine ring carrying two C=O groups at positions 2 and 5. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Mar 22, 2023 | U162905 | |
| Certificate of Analysis | Mar 22, 2023 | U162905 | |
| Certificate of Analysis | Mar 22, 2023 | U162905 | |
| Certificate of Analysis | Mar 22, 2023 | U162905 | |
| Certificate of Analysis | Mar 22, 2023 | U162905 | |
| Certificate of Analysis | Mar 22, 2023 | U162905 | |
| Certificate of Analysis | Jan 14, 2022 | U162905 | |
| Certificate of Analysis | Jan 11, 2022 | U162905 |
| Melt Point(°C) | 240-245 °C (lit.) |
|---|---|
| Molecular Weight | 101.060 g/mol |
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 101.023 Da |
| Monoisotopic Mass | 101.023 Da |
| Topological Polar Surface Area | 70.200 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 106.000 |
| 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 |