3-Chloro-4-fluoro-3-(2-thiomethylphenyl)propiophenone CAS 898780-13-7
| CAS No. | 898780-13-7 |
| Molecular Formula | C16H14ClFOS |
| Molecular Weight | 308.80 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-Chloro-4-fluoro-3-(2-thiomethylphenyl)propiophenone.
3-Chloro-4-fluoro-3-(2-thiomethylphenyl)propiophenone (CAS 898780-13-7) is a high-purity analytical reference standard with the molecular formula C16H14ClFOS and a molecular weight of 308.80 g/mol.
Structurally, 3-Chloro-4-fluoro-3-(2-thiomethylphenyl)propiophenone (C16H14ClFOS) contains sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 308.80 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 3-Chloro-4-fluoro-3-(2-thiomethylphenyl)propiophenone 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 | C16H14ClFOS |
| Molecular Weight | 308.80 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
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