Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99% 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.
| Pubchem Sid | 488186328 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186328 |
| Sonrisas canónicas | CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
| IUPAC Name | 6-methyl-5-nitro-1H-pyrimidine-2,4-dione |
| InChIKey | LIVYMRJSNFHYEN-UHFFFAOYSA-N |
| INCHI | 1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10) |
| Isómeros SMILES | CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
| WGK Alemania | 3 |
| PubChem CID | 85523 |
| Peso molecular | 171.11 |
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 | Organic 1,3-dipolar compounds |
| Clase | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| 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 | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jan 15, 2025 | W133250 | |
| Certificate of Analysis | Jan 15, 2025 | W133250 | |
| Certificate of Analysis | Nov 01, 2024 | W133250 | |
| Certificate of Analysis | Sep 22, 2023 | W133250 | |
| Certificate of Analysis | Apr 19, 2023 | W133250 | |
| Certificate of Analysis | Apr 19, 2023 | W133250 | |
| Certificate of Analysis | Apr 19, 2023 | W133250 | |
| Certificate of Analysis | Apr 19, 2023 | W133250 | |
| Certificate of Analysis | Apr 19, 2023 | W133250 | |
| Certificate of Analysis | Jan 16, 2023 | W133250 |
| Solubilidad | Soluble in DMF, DMSO, Hot Methanol and Hot Water |
|---|---|
| Punto de fusión (°C) | 276 °C(dec.) |
| Peso molecular | 171.110 g/mol |
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 171.028 Da |
| Monoisotopic Mass | 171.028 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| 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 |