3-Chloro-4,5-dimethyl-4H-1,2,4-triazole CAS 56616-85-4
| CAS No. | 56616-85-4 |
| Molecular Formula | C4H6ClN3 |
| Molecular Weight | 131.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Chloro-4,5-dimethyl-4H-1,2,4-triazole (CAS 56616-85-4), molecular formula C4H6ClN3 and molecular weight 131.56 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-Chloro-4,5-dimethyl-4H-1,2,4-triazole (C4H6ClN3) is characterized by a nitrile group, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 3-Chloro-4,5-dimethyl-4H-1,2,4-triazole 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 | C4H6ClN3 |
| Molecular Weight | 131.56 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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 |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 3-Chloro-1,5-dimethyl-1H-1,2,4-triazole (CAS 56616-94-5)
- 3-Chloro-4-ethyl-4H-1,2,4-triazole (CAS 63520-40-1)
- 3-(Chloromethyl)-5-methylisoxazole (CAS 35166-37-1)
- 3-Chloro-5,6-dihydropyridin-2(1H)-one (CAS 207976-92-9)
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