2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide CAS 849066-34-8
| CAS No. | 849066-34-8 |
| Molecular Formula | C19H18Cl2FN2S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide (CAS 849066-34-8) is a high-purity analytical reference standard with the molecular formula C19H18Cl2FN2SBr and a molecular weight of 476.23 g/mol.
Structurally, 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide (C19H18Cl2FN2SBr) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 476.23 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C19H18Cl2FN2S Br |
| Molecular Weight | 476.23 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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