N-((4-(tert-Butyl)-1H-1,2,3-triazol-5-yl)methylene)-4-fluoroaniline CAS 165397-57-9
| CAS No. | 165397-57-9 |
| Molecular Formula | C13H15FN4 |
| Molecular Weight | 246.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N-((4-(tert-Butyl)-1H-1,2,3-triazol-5-yl)methylene)-4-fluoroaniline.
N-((4-(tert-Butyl)-1H-1,2,3-triazol-5-yl)methylene)-4-fluoroaniline (CAS 165397-57-9), molecular formula C13H15FN4 and molecular weight 246.28 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution, N-((4-(tert-Butyl)-1H-1,2,3-triazol-5-yl)methylene)-4-fluoroaniline is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 246.28 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C13H15FN4 |
| Molecular Weight | 246.28 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2004 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
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