Ethyl 2-(4-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate CAS 861205-99-4
| CAS No. | 861205-99-4 |
| Molecular Formula | C13H14ClN3O3 |
| Molecular Weight | 295.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Ethyl 2-(4-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate (CAS 861205-99-4), molecular formula C13H14ClN3O3 and molecular weight 295.72 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 2-(4-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate (C13H14ClN3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 295.72 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C13H14ClN3O3 |
| Molecular Weight | 295.72 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, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Ethyl Standards
- 2-(4-Chlorophenyl)-2H-pyrazolo[4,3-c]isoquinolin-3-ol (CAS 137695-83-1)
- 2-(4-Chlorophenyl)-N-(1-hydroxybutan-2-yl)-2H-tetrazole-5-carboxamide (CAS 1396798-41-6)
- 2-(4-Chlorophenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetonitrile (CAS 160748-31-2)
- 1-(4-Chlorophenyl)-3H-pyridazino[4,5-b]indol-4(5H)-one (CAS 52817-93-3)
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- Ethyl 2-(4-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate (CAS 860786-66-9)
- Ethyl 2-[4-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate (CAS 860786-50-1)
- 1-[7-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1H-pyrrole (CAS 303146-12-5)
Recommended Standards
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- Cholic Acid Impurity 13 (CAS 2304-92-9)
- 9,9-Bis(3-amino-4-hydroxyphenyl)fluorene (CAS 20638-07-7)
- 4-Fluoro-4-piperidineethanol (CAS 1389338-22-0)
- 3-Ethoxybenzofuran (CAS 138173-85-0)
- tert-Butyl methyl(prop-2-yn-1-yl)carbamate (CAS 124045-51-8)
- 5-Bromo-2-methylbenzene-1-sulfonyl chloride (CAS 69321-56-8)
- Peptide 46 (H-4054.0500) (CAS 192122-40-0)
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