4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, chloride (1:1) CAS 72749-75-8
| CAS No. | 72749-75-8 |
| Molecular Formula | C17H17N6O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, chloride (1:1) (CAS 72749-75-8), molecular formula C17H17N6O2Cl and molecular weight 372.81 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, chloride (1:1) (C17H17N6O2Cl) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 372.81 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
As a certified reference material (CRM), 4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, chloride (1:1) 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 | C17H17N6O2 Cl |
| Molecular Weight | 372.81 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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.) | 1977 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 6 |
Recommended Standards
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- (3'-Chloro-[1,1'-biphenyl]-3-yl)methanamine (CAS 850586-22-0)
- Methyl 3-aminobenzo[b]thiophene-2-carboxylate 1,1-dioxide (CAS 1707586-40-0)
- (2-(4-Methyl-1,4-diazepan-1-yl)phenyl)methanol (CAS 915707-55-0)
- 3-(2-methyl-1H-imidazol-1-yl)pyridine (CAS 837376-62-2)
- (3-(2-Bromophenyl)-1H-pyrazol-5-yl)methanol (CAS 1239155-22-6)
- 2-Cyclobutyl-6-hydroxypyrimidin-4(3H)-one (CAS 1465477-57-9)
- Galanin Message Associated Peptide (1-41) amide trifluoroacetate salt (CAS 132699-74-2)
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