Ethyl 2-[4-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate CAS 860786-50-1
| CAS No. | 860786-50-1 |
| Molecular Formula | C13H14ClN3O3 |
| Molecular Weight | 295.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-[4-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Ethyl 2-[4-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate (CAS 860786-50-1), a certified reference material (molecular formula C13H14ClN3O3, MW 295.72 g/mol) for analytical method development and quality control.
Structurally, Ethyl 2-[4-(3-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 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Ethyl 2-[4-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate 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 | 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)
- 3-(4-Chlorophenyl)-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine (CAS 866049-98-1)
- Ethyl 2-(4-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate (CAS 861205-99-4)
- Ethyl 2-(4-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate (CAS 860786-66-9)
- 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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- Cgs-9896 (CAS 77779-36-3)
- Ethyl 4-chloro-5,8-dimethoxyquinoline-3-carboxylate (CAS 77156-82-2)
- 2-(Difluoromethyl)-4-hydroxypyridine-5-methanol (CAS 1806777-57-0)
- Methyl 2-(4-amino-3-chlorophenyl)propanoate (CAS 67333-29-3)
- 4-Amino-2-chloro-3-methylphenol hydrochloride (CAS 1998216-20-8)
- 3-Nitro-1,2,4-triazol-5-one (NTO) (CAS 932-64-9)
- 3-sulfamoyl-1H-pyrazole-4-carboxylic acid (CAS 178880-04-1)
- Ceftazidime Impurity 77 (CAS CATO-C4X-121277)
- 4-Methoxyphenyl 1,2,3,4-tetrahydroacridine-9-carboxylate (CAS 853317-77-8)
- 5-(4-Butoxyphenyl)oxazole-2-carboxylic acid (CAS 1352503-57-1)
- 1,1-Dioxo-6-(trifluoromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-3-carboxylic acid (CAS 931966-70-0)
- Tripeptide-10 citrulline (CAS 960531-53-7)
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