7-Benzyl-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione CAS 70404-23-8
| CAS No. | 70404-23-8 |
| Molecular Formula | C14H13BrN4O2 |
| Molecular Weight | 349.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 349.18 g/mol gives 7-Benzyl-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
7-Benzyl-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 70404-23-8) is a high-purity analytical reference standard with the molecular formula C14H13BrN4O2 and a molecular weight of 349.18 g/mol.
Structurally, 7-Benzyl-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (C14H13BrN4O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 349.18 g/mol, it falls into the moderately-high-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.
CATO manufactures 7-Benzyl-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C14H13BrN4O2 |
| Molecular Weight | 349.18 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 |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1977 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
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