(S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate CAS 870823-09-9
| CAS No. | 870823-09-9 |
| Molecular Formula | C21H17Cl2F3N2O5S |
| Molecular Weight | 537.34 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.
(S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate (CAS 870823-09-9), molecular formula C21H17Cl2F3N2O5S and molecular weight 537.34 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 537.34 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
As a certified reference material (CRM), (S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H17Cl2F3N2O5S |
| Molecular Weight | 537.34 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- Tributyl(((2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)methyl)stannane (CAS 72246-03-8)
- N-(3,5-Dichlorophenyl)-4-(2-{[(3,5-dichlorophenyl)carbamothioyl]amino}ethyl)piperazine-1-carbothioamide (CAS 866038-42-8)
- BTZ2F610-2Br (CAS 1563332-28-4)
- 4-(3-(Benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-1-((4-iodophenyl)sulfonyl)piperidine (CAS 1025724-87-1)
- Methyl(1s,3r)-3-amino-2,2-dimethyl-cyclobutanecarboxylate;hydrochloride (CAS 2247088-07-7)
- (2R,5R)-4-(tert-Butoxycarbonyl)-5-methylpiperazine-2-carboxylic acid (CAS 2381054-66-4)
- 2-Cyclopropoxy-4-fluorobenzamide (CAS 1243414-46-1)
- Ethyl 4-butoxy-3-iodobenzoate (CAS 1131614-79-3)
- (1-(2-Fluorobenzyl)piperidin-4-yl)methanol (CAS 1241253-40-6)
- 1228070-89-0 4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide hydrochloride (CAS 1228070-89-0)
- 2-BRomo-1-(propan-2-yloxy)-4-(trifluoromethyl)benzene (CAS 200956-54-3)
- 1-(2-cyanophenyl)cyclopropane-1-carboxylic acid (CAS 1314666-12-0)
- 2-{2-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}acetic acid (CAS 1097800-71-9)
- Insulin Degludec impurity 4 (CAS CATO-C4X-21574)
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