| CAS No. | 956014-19-0 |
| Molecular Formula | C16H9BrF6N6S |
| Molecular Weight | 511.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea (CAS 956014-19-0), molecular formula C16H9BrF6N6S and molecular weight 511.24 g/mol, is a CATO reference standard with documented purity and traceability.
1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea (C16H9BrF6N6S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/bromine substitution. Halogen substitution raises its density and boiling point; 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), 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea 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.
| Molecular Formula | C16H9BrF6N6S |
| Molecular Weight | 511.24 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |