2-(O-tolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-ium CAS 119673-31-3
| CAS No. | 119673-31-3 |
| Molecular Formula | C14H18N3 |
| Molecular Weight | 228.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(O-tolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-ium (CAS 119673-31-3) is a high-purity analytical reference standard with the molecular formula C14H18N3 and a molecular weight of 228.31 g/mol.
The molecular framework of 2-(O-tolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-ium (C14H18N3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
As a certified reference material (CRM), 2-(O-tolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-ium meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C14H18N3 |
| Molecular Weight | 228.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 3 |
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