6-((2-Chlorobenzyl)oxy)-3-(chlorodifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine CAS 477871-78-6
| CAS No. | 477871-78-6 |
| Molecular Formula | C13H8Cl2F2N4O |
| Molecular Weight | 345.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
6-((2-Chlorobenzyl)oxy)-3-(chlorodifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 477871-78-6) is a high-purity analytical reference standard with the molecular formula C13H8Cl2F2N4O and a molecular weight of 345.13 g/mol.
6-((2-Chlorobenzyl)oxy)-3-(chlorodifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (C13H8Cl2F2N4O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C13H8Cl2F2N4O |
| Molecular Weight | 345.13 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 |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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- 4-(3-Nitrostyryl)benzene-1-sulfonyl fluoride (CAS 24892-97-5)
- 5-Cyclopropoxy-2,4-diisopropylpyridine (CAS 1243389-65-2)
- 5-(Dimethylamino)-1-(4-methoxyphenyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 56045-80-8)
- Carbocisteine Impurity 57 (CAS CATO-C4X-201057)
- 5-Chloro-2-(4-fluorophenyl)-1H-benzo[d]imidazole (CAS 21627-71-4)
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- 1-(Tert-butyl) 3-ethyl (3S,4R)-4-hydroxypyrrolidine-1,3-dicarboxylate (CAS 849935-85-9)
- Myristoyl Pentapeptide -4 acetate (CAS 959610-30-1(free base))
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