5,5-Dinitro-2,4,6(1H,3H,5H)-pyrimidinetrione CAS 269077-45-4
| CAS No. | 269077-45-4 |
| Molecular Formula | C4H2N4O7 |
| Molecular Weight | 218.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 5,5-Dinitro-2,4,6(1H,3H,5H)-pyrimidinetrione (C4H2N4O7) is characterized by a carbohydrate-derived structure, an amide group. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
5,5-Dinitro-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 269077-45-4), molecular formula C4H2N4O7 and molecular weight 218.08 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C4H2N4O7 |
| Molecular Weight | 218.08 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
Related Dinitro Standards
- 1-Methyl-3,4-dinitro-1h-pyrazole-5-carboxylic acid (CAS 89607-19-2)
- 1-(3,4-Dinitro-1H-pyrazol-1-yl)propan-2-one (CAS 131394-09-7)
- 5-Methyl-4,6-dinitro-1H-indazole (CAS 1167056-10-1)
- 3-Methyl-5,7-dinitro-1H-indazole (CAS 647853-23-4)
- 5,7-Dinitro-1,2,3,4-tetrahydronaphthalene (CAS 51522-30-6)
- 6,7-Dinitro-1,2,3,4-tetrahydroisoquinoline (CAS 1644164-49-7)
- 6,8-Dinitro-1,2,3,4-tetrahydroquinoline (CAS 40484-56-8)
- 2,4-Dinitro-5-methylphenylhydrazine (CAS 5267-23-2)
Recommended Standards
- 4-Chlorothiazole-2-sulfonyl chloride (CAS 89501-96-2)
- 5,7-Dichloro-1,2,3,4-tetrahydroquinolin-8-ol (CAS 485403-38-1)
- 4,6-Dichloro-2-(pyrrolidin-2-yl)pyrimidine (CAS 2167232-92-8)
- 5-Chlorothiazole-2-sulfonyl chloride (CAS 959997-70-7)
- (1-Propylpyrrolidin-3-yl)methanamine (CAS 959239-12-4)
- (1R)-1-(oxetan-3-yl)ethanol (CAS 2375165-27-6)
- 4-Chloroaniline-<SUP>13</SUP>C<SUB>6</SUB> (CAS 1313734-69-8)
- 4,6-Dichloro-2-cyclohexylpyrimidine (CAS 94052-11-6)
- 4-Amino-1,2-dihydropyridine-2-thione (CAS 59243-40-2)
- 2-Butoxy-5-nitrobenzaldehyde (CAS 34595-20-5)
- Aprepitant impurity 57 Dimethyl ammonium salt (CAS CATO-C4X-114157)
- (+/-)-Trans-4-(2-pyridinyl)-pyrrolidine-3-carboxylic acid-2hcl (CAS 1330750-49-6)
- 3-Amino-3-(pyrimidin-4-yl)propanoic acid (CAS 1339172-91-6)
- Fragment-[3-31]-Liraglutide (CAS CATO-C4X-199232)
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