7-Bromo-4-chloro-9H-pyrimido[4,5-b]indole CAS 1300026-95-2
| CAS No. | 1300026-95-2 |
| Molecular Formula | C10H5BrClN3 |
| Molecular Weight | 282.52 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.
7-Bromo-4-chloro-9H-pyrimido[4,5-b]indole (CAS 1300026-95-2), molecular formula C10H5BrClN3 and molecular weight 282.52 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 7-Bromo-4-chloro-9H-pyrimido[4,5-b]indole (C10H5BrClN3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 282.52 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C10H5BrClN3 |
| Molecular Weight | 282.52 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 3 |
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