Methyl 1-(cyanomethyl)-1H-1,2,4-triazole-3-carboxylate CAS 64074-25-5
| CAS No. | 64074-25-5 |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C6H6N4O2, Methyl 1-(cyanomethyl)-1H-1,2,4-triazole-3-carboxylate contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 166.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
Methyl 1-(cyanomethyl)-1H-1,2,4-triazole-3-carboxylate (CAS 64074-25-5), 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 1-(cyanomethyl)-1H-1,2,4-triazole-3-carboxylate 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.) | 1975 |
| Nitrogen Atoms | 4 |
Related Methyl Standards
- Methyl 1-(cyanomethyl)-1H-1,2,4-triazole-5-carboxylate (CAS 64074-24-4)
- Methyl 4-(cyanomethyl)-1H-1,2,3-triazole-5-carboxylate (CAS 73591-48-7)
- 2-[(Cyanomethyl)sulfanyl]pyridin-1-ium-1-olate (CAS 338778-95-3)
- 2-(CYANOMETHYL)BENZYL CHLORIDE (CAS 98590-71-7)
- (5-(Cyanomethyl)thiophen-3-yl)boronic acid (CAS 1065185-02-5)
- [4-(cyanomethyl)phenyl]boronic acid (CAS 91983-26-5)
- N-(Cyanomethyl)-5-methylisoxazole-4-carboxamide (CAS 167538-19-4)
- Methyl 1-(cyanomethyl)-1H-pyrazole-4-carboxylate (CAS 1824468-12-3)
Recommended Standards
- Methyl (5-cyano-1H-imidazol-4-yl)carbamate (CAS 53982-59-5)
- Ethyl 3-cyano-1H-1,2,4-triazole-5-carboxylate (CAS 853907-83-2)
- Methyl 2-amino-4-cyano-1H-imidazole-5-carboxylate (CAS 225644-24-6)
- 8-Aminoguanine (CAS 28128-41-8)
- Ethyl 5-amino-1-(quinoline-6-carbonyl)-1H-pyrazole-4-carboxylate (CAS 955965-54-5)
- 4-(Cyclopropylmethyl)tetrahydro-2h-pyran-4-carboxylic acid (CAS 1385696-64-9)
- Methyl 2-bromo-2-(4-nitrophenyl)acetate (CAS 85259-33-2)
- 5-Oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CAS 856602-30-7)
- Dequalinium impurity 32 (CAS CATO-C4X-193632)
- Flumethasone Impurity 7 (CAS 28400-50-2)
- N-(6-Oxo-6,9-dihydro-1H-purin-2-yl)benzamide (CAS 21323-87-5)
- 3-(Methoxyamino)propan-1-ol (CAS 1458359-05-1)
- 3-Phenyl-1,2,4,5-tetrazine (CAS 36022-11-4)
- Heptapeptide-6 (CAS CATO-CPTD788823)
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