2804-50-4 A819298 [4,5-diacetyloxy-2-methyl-6-(6-oxidanylidene-3H-purin-9-yl)oxan-3-yl] ethanoate acetic acid [4,5-diacetyloxy-2-methyl-6-(6-oxo-3H-purin-9-yl)-3-oxanyl] ester CAS 2804-50-4
| CAS No. | 2804-50-4 |
| Molecular Formula | C3ClF5 |
| Molecular Weight | 166.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 2804-50-4 A819298 [4,5-diacetyloxy-2-methyl-6-(6-oxidanylidene-3H-purin-9-yl)oxan-3-yl] ethanoate acetic acid [4,5-diacetyloxy-2-methyl-6-(6-oxo-3H-purin-9-yl)-3-oxanyl] ester (CAS 2804-50-4), a certified reference material (molecular formula C3ClF5, MW 166.48 g/mol) for analytical method development and quality control.
Structurally, 2804-50-4 A819298 [4,5-diacetyloxy-2-methyl-6-(6-oxidanylidene-3H-purin-9-yl)oxan-3-yl] ethanoate acetic acid [4,5-diacetyloxy-2-methyl-6-(6-oxo-3H-purin-9-yl)-3-oxanyl] ester (C3ClF5) contains fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 166.48 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C3ClF5 |
| Molecular Weight | 166.48 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | Stable under recommended storage conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F/Cl-containing |
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