1-(2H-1,3-Benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfanyl]propan-1-one CAS 882749-61-3
| CAS No. | 882749-61-3 |
| Molecular Formula | C16H13FO3S |
| Molecular Weight | 304.34 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.
1-(2H-1,3-Benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfanyl]propan-1-one (CAS 882749-61-3), molecular formula C16H13FO3S and molecular weight 304.34 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(2H-1,3-Benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfanyl]propan-1-one (C16H13FO3S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 1-(2H-1,3-Benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfanyl]propan-1-one 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 | C16H13FO3S |
| Molecular Weight | 304.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1987 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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