4-Amino-6-chloro-5-nitropyrimidin-2(1H)-one CAS 952569-11-8
| CAS No. | 952569-11-8 |
| Molecular Formula | C4H3ClN4O3 |
| Molecular Weight | 190.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Amino-6-chloro-5-nitropyrimidin-2(1H)-one.
4-Amino-6-chloro-5-nitropyrimidin-2(1H)-one (CAS 952569-11-8), molecular formula C4H3ClN4O3 and molecular weight 190.54 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-Amino-6-chloro-5-nitropyrimidin-2(1H)-one (C4H3ClN4O3) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C4H3ClN4O3 |
| Molecular Weight | 190.54 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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, water |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related Amino Standards
- 2-Amino-6-chloro-5-nitro-4(3H)-pyrimidone (CAS 1007-99-4)
- 6-Amino-2-chloro-5-fluoronicotinic acid (CAS 1956323-14-0)
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- Ethyl 5-amino-4-chloroisoxazole-3-carboxylate (CAS 1521467-36-6)
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Recommended Standards
- 2-Chloro-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid (CAS 1824642-99-0)
- 5-(Chlorocarbonyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid (CAS 69579-39-1)
- 1-Methyl-3-nitro-1H-1,2,4-triazole-5-carbonyl chloride (CAS 131758-19-5)
- 5-Chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (CAS 36313-98-1)
- 5-Bromochroman-8-carboxylic Acid (CAS 110751-07-0)
- 4-(tert-Butyl)-1-methoxy-2-nitrobenzene (CAS 91247-60-8)
- Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride [Reducing Reagent] (CAS 139494-68-1)
- (3AS,6aS)-hexahydrocyclopenta[b]pyrrol-2(1H)-one (CAS 131348-76-0)
- [(E)-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](phenyl)methylidene}amino]urea (CAS 251310-67-5)
- 5-[(Cyclopropylmethyl)sulfanyl]-1,3,4-thiadiazol-2-amine (CAS 1002190-66-0)
- Methyl 3-[(2-methoxy-2-oxoethyl)(propan-2-yl)amino]propanoate (CAS 1249253-89-1)
- 4-Heptylzinc bromide 0.5 M in Tetrahydrofuran (CAS 312693-12-2)
- 3-(1,3-benzodioxol-5-yl)-N,N-dibenzylacrylamide (CAS 298215-69-7)
- Semaglutide Impurity 158 (x TFA Salt) (CAS CATO-C4X-2226158)
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