1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid CAS 956754-06-6
| CAS No. | 956754-06-6 |
| Molecular Formula | C14H7BrF3N3O2S |
| Molecular Weight | 418.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 418.19 g/mol gives 1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 956754-06-6), a certified reference material (molecular formula C14H7BrF3N3O2S, MW 418.19 g/mol) for analytical method development and quality control.
The molecular framework of 1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (C14H7BrF3N3O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C14H7BrF3N3O2S |
| Molecular Weight | 418.19 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- (E)-2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-6-iodoquinazolin-4(3H)-one (CAS 922189-68-2)
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- tert-Butyl 3-iodo-5-methoxy-6-nitro-1H-indole-1-carboxylate (CAS 1823509-06-3)
- Fluralaner Impurity 21 (CAS CATO-C4X-218021)
- 4-Hydroxy-3-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid (CAS 1420792-96-6)
- 2-(Difluoromethyl)-4-hydroxy-5-nitropyridine-3-carboxylic acid (CAS 1805537-13-6)
- 3-Bromo-4-iodo-5-methoxyaniline (CAS 1263377-67-8)
- N,N-Diethyl-4-(quinolin-2-yl)aniline (CAS 19736-41-5)
- 3-((4-Chlorophenyl)sulfonyl)-1-cyclohexyl-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 606954-06-7)
- Ethyl 3,3-difluoropiperidine-4-carboxylate (CAS 1303973-14-9)
- ([ring-D5]Phe3)-Octreotide acetate salt (CAS 1134880-79-7)
- 2-Chloro-6-(4-methoxyphenyl)-4-phenylnicotinonitrile (CAS 143882-78-4)
- 4-[(2-Chloro-4-fluorobenzyl)oxy]benzoyl chloride (CAS 1160250-68-9)
- Tetrapeptide-30/Tegopep (CAS 1036207-61-0)
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