1-Phenyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine CAS 334500-45-7
| CAS No. | 334500-45-7 |
| Molecular Formula | C16H15F3N6 |
| Molecular Weight | 348.33 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.
1-Phenyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine (CAS 334500-45-7), molecular formula C16H15F3N6 and molecular weight 348.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-Phenyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine (C16H15F3N6) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 348.33 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H15F3N6 |
| Molecular Weight | 348.33 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
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Recommended Standards
- 1-Benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 730981-96-1)
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- Di-o-tolylphosphonoacetic acid ethyl ester (CAS 188945-41-7)
- 5-(4-Aminophenoxy)-2-(2-fluorophenyl)isoindoline-1,3-dione (CAS 310451-98-0)
- 5-Fluoro-4-((trimethylsilyl)ethynyl)-1h-pyrrolo[2,3-b]pyridine (CAS 1228666-01-0)
- 6-Methylbenzo[d]isoxazole (CAS 10531-79-0)
- 5-(3-Chlorophenyl)-4-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 618072-49-4)
- 2-Acrylamido-2-ethylbutanoic acid (CAS 111818-56-5)
- 4-(Quinazolin-2-yl)aniline (CAS 1421315-21-0)
- Chlorpheniramine-d6 (CAS 1185054-60-7)
- Methyl 5-((tert-butyldimethylsilyl)oxy)-2-methylbenzoate (CAS 866028-37-7)
- (R)-2-(((benzyloxy)carbonyl)amino)-3-(p-tolyl)propanoic acid (CAS 49759-60-6)
- 4-Bromo-2-(2-fluoroethyl)-2H-1,2,3-triazole (CAS 2866290-73-3)
- Semaglutide impurity 255 (CAS CATO-C4X-2226255)
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