≥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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488184230 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184230 |
| Canonical Smiles | C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
| IUPAC Name | 5-nitro-1H-pyrimidine-2,4-dione |
| InChIKey | TUARVSWVPPVUGS-UHFFFAOYSA-N |
| INCHI | 1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9) |
| Isomeric SMILES | C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
| WGK Germany | 2 |
| RTECS | UV9104545 |
| Molecular Weight | 157.09 |
| Beilstein | 24320 |
| Reaxy-Rn | 10410 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10410&ln= |
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 |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Hydroxypyrimidines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Hydroxypyrimidine - Pyrimidine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | 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 | C-nitro compound |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2205489 | Certificate of Analysis | Jun 15, 2026 | N119336 |
| H2422365 | Certificate of Analysis | Aug 12, 2024 | N119336 |
| H2422366 | Certificate of Analysis | Aug 12, 2024 | N119336 |
| H2422367 | Certificate of Analysis | Aug 12, 2024 | N119336 |
| K1214066 | Certificate of Analysis | Jun 15, 2024 | N119336 |
| L2307180 | Certificate of Analysis | Dec 13, 2023 | N119336 |
| D2321372 | Certificate of Analysis | Apr 26, 2023 | N119336 |
| Melt Point(°C) | >300°C |
|---|---|
| Molecular Weight | 157.080 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 157.012 Da |
| Monoisotopic Mass | 157.012 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 263.000 |
| 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. Hui Yu, Xinan Shi, Lijian Huang, Xiaojiao Kang, Daocheng Pan. (2020) Solution-deposited and low temperature-annealed Eu3+/Tb3+-doped CaMoO4/SrMoO4 luminescent thin films. JOURNAL OF LUMINESCENCE, [PMID:] [10.1016/j.jlumin.2020.117371] |
| 2. Peiqi Chen, Gang Li, Jie Shao, Baoping Bai, Jie Hu, Xiang Han, Anning Zhou, Qiuhong Wang, Fuxin Chen. (2025) Preparation of Nitrogen-Rich Tar by Co-Pyrolysis and Analysis of Nitrogen-Containing Compounds in Pyrolysis Products. Applied Sciences-Basel, 15 (11): (6284). [PMID:] [10.3390/app15116284] |
| 3. Yan Sun, Tayyab Shaheen, Jiali Guo, Bingjie Shi, Miaohan Li, Xiaoyan Li, Yongqiang Li, Gunghui Tang. (2025) Laboratory selection, resistance risk assessment, fitness costs and biochemical mechanism of Aphis gossypii to flonicamid. PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, [PMID:41326073] [10.1016/j.pestbp.2025.106757] |
