3-((2-Fluorobenzyl)thio)-6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine CAS 894052-70-1
| CAS No. | 894052-70-1 |
| Molecular Formula | C17H12FN5S |
| Molecular Weight | 337.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3-((2-Fluorobenzyl)thio)-6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 894052-70-1), a certified reference material (molecular formula C17H12FN5S, MW 337.37 g/mol) for analytical method development and quality control.
Structurally, 3-((2-Fluorobenzyl)thio)-6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (C17H12FN5S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 337.37 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.
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 | C17H12FN5S |
| Molecular Weight | 337.37 g/mol |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Fluorobenzyl Standards
- 3-((2-Fluorobenzyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 894059-48-4)
- 6-((2-Fluorobenzyl)thio)-3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 868968-06-3)
- 6-((2-Fluorobenzyl)thio)-3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 868969-21-5)
- 6-((3-Fluorobenzyl)thio)-3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 868969-08-8)
- 5-((4-Fluorobenzyl)amino)-2-((m-tolyloxy)methyl)oxazole-4-carbonitrile (CAS 606948-76-9)
- 2-(2-((4-Fluorobenzyl)thio)-5-(hydroxymethyl)-1H-imidazol-1-yl)-N-isopropylacetamide (CAS 921795-28-0)
- 2-[({4-[(4-Fluorobenzyl)sulfanyl]phenyl}imino)methyl]benzenol (CAS 329779-43-3)
- 6-(3-Fluorobenzyl)-5,7-dimethyl-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine (CAS 861206-51-1)
Recommended Standards
- 3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pent-4-enoic acid (CAS 794504-12-4)
- 2-[(9H-Fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarboxylic acid (CAS 2148210-23-3)
- 3-(1,3-Dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-N-mesitylpropanamide (CAS 925200-29-9)
- 2-(tert-Butoxycarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 317806-26-1)
- 6,7-Difluoro-3,4-dihydroquinolin-2(1H)-one (CAS 132669-27-3)
- (2S,3S)-3-butylazetidine-2-carboxylic acid (CAS 877081-10-2)
- [(1-ethyl-1h-pyrazol-4-yl)methyl][2-(3-methoxyphenyl)ethyl]amine (CAS 1170150-51-2)
- (4-(Methoxymethoxy)phenyl)(pyridin-2-yl)methanone (CAS 474534-39-9)
- 2,3-Dihydroimidazo[1,2-b]isoquinolin-5(10H)-one (CAS 112521-56-9)
- 4-Chloro-5-phenoxy-2-phenylpyrimidine (CAS 663194-33-0)
- 3-(Trifluoromethyl)phenyl 2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)acetate (CAS 478065-82-6)
- Benzyl (((S)-1-((S)-2-aminopropanoyl)pyrrolidin-2-yl)methyl)(ethyl)carbamate (CAS 1401669-11-1)
- Methyl 6-amino-2-chloropyrimidine-4-carboxylate (CAS 944129-00-4)
- Des-[Gly]31-Semaglutide(x TFA Salt) (CAS 873874-39-6(free base))
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