4-(5-Bromo-3-(bromo(2-chlorophenyl)methyl)thiophen-2-yl)-3-(chloromethyl)-5-methyl-4H-1,2,4-triazole CAS 62551-57-9
| CAS No. | 62551-57-9 |
| Molecular Formula | C15H11Br2Cl2N3S |
| Molecular Weight | 496.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(5-Bromo-3-(bromo(2-chlorophenyl)methyl)thiophen-2-yl)-3-(chloromethyl)-5-methyl-4H-1,2,4-triazole.
4-(5-Bromo-3-(bromo(2-chlorophenyl)methyl)thiophen-2-yl)-3-(chloromethyl)-5-methyl-4H-1,2,4-triazole (CAS 62551-57-9), molecular formula C15H11Br2Cl2N3S and molecular weight 496.05 g/mol, is a CATO reference standard with documented purity and traceability.
4-(5-Bromo-3-(bromo(2-chlorophenyl)methyl)thiophen-2-yl)-3-(chloromethyl)-5-methyl-4H-1,2,4-triazole (C15H11Br2Cl2N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; 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.
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.
As a certified reference material (CRM), 4-(5-Bromo-3-(bromo(2-chlorophenyl)methyl)thiophen-2-yl)-3-(chloromethyl)-5-methyl-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 | C15H11Br2Cl2N3S |
| Molecular Weight | 496.05 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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