methyl 2-(3-cyano-1H-1,2,4-triazol-1-yl)acetate CAS 1193387-75-5
| CAS No. | 1193387-75-5 |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
methyl 2-(3-cyano-1H-1,2,4-triazol-1-yl)acetate (C6H6N4O2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
methyl 2-(3-cyano-1H-1,2,4-triazol-1-yl)acetate (CAS 1193387-75-5), molecular formula C6H6N4O2 and molecular weight 166.14 g/mol, is a CATO reference standard with documented purity and traceability.
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), methyl 2-(3-cyano-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 | C6H6N4O2 |
| Molecular Weight | 166.14 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 4 |
Related methyl Standards
- 2-(3-cyano-1H-1,2,4-triazol-1-yl)propanoic acid (CAS 1249550-68-2)
- 2-Cyano-N'-(2-cyanoacetyl)acetohydrazide (CAS 73673-39-9)
- Ethyl 3-cyano-1H-1,2,4-triazole-5-carboxylate (CAS 853907-83-2)
- Methyl (5-cyano-1H-imidazol-4-yl)carbamate (CAS 53982-59-5)
- 2-(4-Cyano-5-methyl-1,2-oxazol-3-yl)acetic acid (CAS 93276-75-6)
- 5-Cyano-3-fluoropicolinic acid (CAS 1200498-46-9)
- 4-Cyano-5-fluoropicolinic acid (CAS 1256786-24-9)
- 5-Cyano-2-fluoronicotinic acid (CAS 1334722-34-7)
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- Methyl 5-Amino-1-methylpyrazole-3-carboxylate (CAS 92406-53-6)
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