5-Fluoro-3-(4-nitrobenzoyl)pyrimidine-2,4(1H,3H)-dione CAS 61251-78-3
| CAS No. | 61251-78-3 |
| Molecular Formula | C11H6FN3O5 |
| Molecular Weight | 279.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Fluoro-3-(4-nitrobenzoyl)pyrimidine-2,4(1H,3H)-dione is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 5-Fluoro-3-(4-nitrobenzoyl)pyrimidine-2,4(1H,3H)-dione (CAS 61251-78-3), a certified reference material (molecular formula C11H6FN3O5, MW 279.18 g/mol) for analytical method development and quality control.
The molecular framework of 5-Fluoro-3-(4-nitrobenzoyl)pyrimidine-2,4(1H,3H)-dione (C11H6FN3O5) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. 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).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 5-Fluoro-3-(4-nitrobenzoyl)pyrimidine-2,4(1H,3H)-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H6FN3O5 |
| Molecular Weight | 279.18 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Fluoro Standards
- 1-(4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-n,n-dimethylmethanamine (CAS 1431470-48-2)
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- 1-(2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-n,n-dimethylmethanamine (CAS 2377612-07-0)
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- 5-fluoro-2-nitrophenyl 2-fluorobenzoate (CAS 219689-89-1)
- N-(2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine (CAS 2096341-80-7)
- N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine (CAS 2096330-37-7)
- Ethyl 4-fluoro-2-nitro-5-(1-pyrazolyl)benzoate (CAS 1256633-41-6)
Recommended Standards
- 5-Amino-8-(trifluoromethyl)pyrido[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine-3-carbonitrile (CAS 338420-31-8)
- 6-Bromo-3-(piperidin-4-yl)-1H-indole (CAS 959236-51-2)
- 3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (5-(tert-butyl)pyridin-2-yl)boronate (CAS 2223040-41-1)
- 2-Bromo-5-(diethoxymethyl)-3-methylthiophene (CAS 1000018-59-6)
- 3-Cyclopropoxy-5-ethyl-4-iodopyridine (CAS 1243404-55-8)
- 2-(Oxane-4-sulfonyl)propanoic acid (CAS 1394042-09-1)
- 4-bromo-6-fluoro-isoquinoline (CAS 1416500-78-1)
- 2,3-Dimethyl-4-ethoxybenzaldehyde (CAS 883536-41-2)
- 1-((2-Nitrophenyl)sulfonyl)piperidin-4-one (CAS 267666-09-1)
- 548472-68-0 Nutlin-3 rel-4-{[(4R,5S)-4,5-bis(4-chlorophenyl)-2-{2-[(propan-2-yl)oxy]-4-methoxyphenyl}-4,5-dihydro-1H-imidazol-1-yl]carbonyl}piperazin-2-one cis-4-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]carbonyl}piperazin-2-one nutlin 3 CHEBI:46742 (CAS 548472-68-0)
- Sitagliptin Impurity 14 (CAS 1151240-91-3)
- 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene (CAS 87014-28-6)
- 6-Methyl-2-phenyl-4H-benzo[d][1,3]oxazin-4-one (CAS 117039-85-7)
- Insulin Degludec Impurity 27 (CAS CATO-C4X-215727)
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