4-Chloro-3-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}benzoic acid CAS 438029-19-7
| CAS No. | 438029-19-7 |
| Molecular Formula | C17H16ClFN2O4S |
| Molecular Weight | 398.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C17H16ClFN2O4S, 4-Chloro-3-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}benzoic acid contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 398.84 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-Chloro-3-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}benzoic acid (CAS 438029-19-7) is a high-purity analytical reference standard with the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 4-Chloro-3-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H16ClFN2O4S |
| Molecular Weight | 398.84 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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