3-{5-[(4,5-dichloro-1H-imidazol-1-yl)sulphonyl]-2-thienyl}-1-methyl-5-(trifluoromethyl)-1H-pyrazole CAS 650592-10-2
| CAS No. | 650592-10-2 |
| Molecular Formula | C12H7Cl2F3N4O2S2 |
| Molecular Weight | 431.24 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 3-{5-[(4,5-dichloro-1H-imidazol-1-yl)sulphonyl]-2-thienyl}-1-methyl-5-(trifluoromethyl)-1H-pyrazole.
CATO supplies 3-{5-[(4,5-dichloro-1H-imidazol-1-yl)sulphonyl]-2-thienyl}-1-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 650592-10-2), a certified reference material (molecular formula C12H7Cl2F3N4O2S2, MW 431.24 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 3-{5-[(4,5-dichloro-1H-imidazol-1-yl)sulphonyl]-2-thienyl}-1-methyl-5-(trifluoromethyl)-1H-pyrazole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 431.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
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 | C12H7Cl2F3N4O2S2 |
| Molecular Weight | 431.24 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 5-Hydroxy-2-(methylthio)pyrimidine-4-carboxylic acid (CAS 74840-46-3)
- 4-(Difluoromethyl)-3-methoxy-5-nitropyridin-2-amine (CAS 1805365-32-5)
- 3-Chloro-6-(chloromethyl)-2-fluoropyridine (CAS 1227585-34-3)
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- 1-(5-bromo-3-methoxypyridin-2-yl)ethan-1-one (CAS 1211521-17-3)
- 2,6-Bis(methyl-d3)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 1321517-95-6)
- (1r)-1-(3-Bromo-4-methoxyphenyl)ethan-1-ol (CAS 1212173-31-3)
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