(5-((4-Bromophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl 2,2-dichloroacetate CAS 957010-41-2
| CAS No. | 957010-41-2 |
| Molecular Formula | C14H10BrCl2F3N2O2S |
| Molecular Weight | 478.11 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.
(5-((4-Bromophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl 2,2-dichloroacetate (CAS 957010-41-2) is a high-purity analytical reference standard with the molecular formula C14H10BrCl2F3N2O2S and a molecular weight of 478.11 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution, (5-((4-Bromophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl 2,2-dichloroacetate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 478.11 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C14H10BrCl2F3N2O2S |
| Molecular Weight | 478.11 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| 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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- Semaglutide impurity 101 (CAS CATO-C4X-2226101)
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