4-(5-((2-Chloro-6-fluorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine CAS 521281-98-1
| CAS No. | 521281-98-1 |
| Molecular Formula | C20H14ClFN4S |
| Molecular Weight | 396.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(5-((2-Chloro-6-fluorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(5-((2-Chloro-6-fluorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 521281-98-1), molecular formula C20H14ClFN4S and molecular weight 396.87 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, 4-(5-((2-Chloro-6-fluorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 396.87 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C20H14ClFN4S |
| Molecular Weight | 396.87 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 1,9,10,11,12,12-Hexachloro-5-oxatetracyclo[7.2.1.0^{2,8}.0^{4,6}]dodec-10-ene-3,7-dione (CAS 38667-80-0)
- 3-{1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775519-17-9)
- (S)-N-Methyl-1-phenyl-2-(pyrrolidin-1-yl)ethanamine (CAS 116508-51-1)
- Brivanib (CAS 649735-46-6)
- 2-(2,6-Dibromo-4-formylphenoxy)acetonitrile (CAS 827591-22-0)
- 2-(3-Aminopyridin-4-yl)acetic acid (CAS 878483-87-5)
- Tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate (CAS 126989-14-8)
- 2-(((1-Acetylpiperidin-3-yl)methyl)amino)acetic acid (CAS 1353974-47-6)
- Methylnaltrexone Bromide Impurity 2 (CAS CATO-C4X-15212)
- (R)-Colchicine (CAS 75520-89-7)
- 2-chloro-4-{1H-pyrrolo[2,3-b]pyridin-1-yl}pyrimidine (CAS 2225126-51-0)
- Biotinyl-Glucagon (1-29) (human, rat, porcine) trifluoroacetate salt (CAS 1802086-28-7)
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