1-(4-Bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide CAS 866872-71-1
| CAS No. | 866872-71-1 |
| Molecular Formula | C18H17BrN4O2 |
| Molecular Weight | 401.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(4-Bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 866872-71-1) is a high-purity analytical reference standard with the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol.
The molecular framework of 1-(4-Bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (C18H17BrN4O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine 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. 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.
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 | C18H17BrN4O2 |
| Molecular Weight | 401.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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- N,N’-[Sulfonylbis(4,1-phenylene)]bis(2-chloroacetamide) (CAS 17328-16-4)
- 1-(tert-butyl) 6-Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,6-dicarboxylate (CAS 2377609-81-7)
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