1-(6-Chloro-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-b-D-Ribofuranuronoyl chloride CAS 104940-65-0
| CAS No. | 104940-65-0 |
| Molecular Formula | C13H12Cl2N4O4 |
| Molecular Weight | 359.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-(6-Chloro-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-b-D-Ribofuranuronoyl chloride (CAS 104940-65-0) is a high-purity analytical reference standard with the molecular formula C13H12Cl2N4O4 and a molecular weight of 359.16 g/mol.
Based on its molecular formula C13H12Cl2N4O4, 1-(6-Chloro-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-b-D-Ribofuranuronoyl chloride contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 359.16 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C13H12Cl2N4O4 |
| Molecular Weight | 359.16 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
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