4-(4-chlorophenyl)-2-(2,4-difluoroanilino)-3-propyl-1,3-thiazol-3-ium bromide CAS 849066-32-6
| CAS No. | 849066-32-6 |
| Molecular Formula | C18H16ClF2N2S |
| Molecular Weight | N/A |
| 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.
4-(4-chlorophenyl)-2-(2,4-difluoroanilino)-3-propyl-1,3-thiazol-3-ium bromide (CAS 849066-32-6) is a high-purity analytical reference standard with the molecular formula C18H16ClF2N2SBr and a molecular weight of 445.75 g/mol.
Based on its molecular formula C18H16ClF2N2SBr, 4-(4-chlorophenyl)-2-(2,4-difluoroanilino)-3-propyl-1,3-thiazol-3-ium bromide contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 445.75 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C18H16ClF2N2S Br |
| Molecular Weight | 445.75 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.) | 1987 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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- Pranlukast Impurity N1 (CAS 136450-11-8)
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