1-(3,5-Bis(trifluoromethyl)phenyl)-4-(pyridin-4-yl)-1H-[1,2,3]triazolo[4,5-c]pyridine CAS 439093-64-8
| CAS No. | 439093-64-8 |
| Molecular Formula | C18H9F6N5 |
| Molecular Weight | 409.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(3,5-Bis(trifluoromethyl)phenyl)-4-(pyridin-4-yl)-1H-[1,2,3]triazolo[4,5-c]pyridine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-(3,5-Bis(trifluoromethyl)phenyl)-4-(pyridin-4-yl)-1H-[1,2,3]triazolo[4,5-c]pyridine (CAS 439093-64-8), a certified reference material (molecular formula C18H9F6N5, MW 409.29 g/mol) for analytical method development and quality control.
The molecular framework of 1-(3,5-Bis(trifluoromethyl)phenyl)-4-(pyridin-4-yl)-1H-[1,2,3]triazolo[4,5-c]pyridine (C18H9F6N5) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C18H9F6N5 |
| Molecular Weight | 409.29 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related Bis Standards
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- 5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl 4-chlorophenyl sulfide (CAS 241488-33-5)
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Recommended Standards
- (2E)-1-[(4-Bromophenyl)sulfanyl]-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (CAS 882073-27-0)
- 2-((4-Bromophenyl)thio)-4-(4-ethoxyphenyl)-4-oxobutanoic acid (CAS 720667-76-5)
- tert-Butyl 6-(difluoromethyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 2566880-11-1)
- 3-(3-(3,6-Dichloro-9H-carbazol-9-yl)-2-hydroxypropyl)thiazolidine-2,4-dione (CAS 312631-87-1)
- (E)-3-(3-nitro-4-(pyridin-2-ylthio)phenyl)acrylic acid (CAS 175278-56-5)
- 3-Amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide (CAS 1304351-60-7)
- 5-Chloro-4-nitrobenzofuran (CAS 412336-59-5)
- (2-Methoxyethyl)(2-methylpropyl)amine (CAS 1019603-73-6)
- 5-Bromoisoxazolo[5,4-b]pyridine (CAS 1246552-55-5)
- 2-(5-Formylisoxazol-3-yl)acetamide (CAS 220780-55-2)
- 3,5-Bis(trifluoromethyl)-4H-1,2,4-triazole (CAS 709-62-6)
- 1-(Triphenylphosphoranylidene)butan-2-one (CAS 19753-66-3)
- tert-Butyl 5-(hydroxymethyl)-2,6-diazaspiro[3.4]octane-2-carboxylate (CAS 2768872-90-6)
- Semaglutide impurity 60 (CAS CATO-C4X-222660)
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