3-bromo-1,2,5,10-tetraazatricyclo[7.3.0.0²,⁶]dodeca-3,5,7,9,11-pentaene CAS 85102-44-9
| CAS No. | 85102-44-9 |
| Molecular Formula | C8H5BrN4 |
| Molecular Weight | 237.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-bromo-1,2,5,10-tetraazatricyclo[7.3.0.0²,⁶]dodeca-3,5,7,9,11-pentaene (C8H5BrN4) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, bromine 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.
3-bromo-1,2,5,10-tetraazatricyclo[7.3.0.0²,⁶]dodeca-3,5,7,9,11-pentaene (CAS 85102-44-9), molecular formula C8H5BrN4 and molecular weight 237.06 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C8H5BrN4 |
| Molecular Weight | 237.06 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
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