4-Methyl-3-(3-oxo-3-phenylprop-1-en-1-yl)benzene-1-sulfonyl chloride CAS 728864-86-6
| CAS No. | 728864-86-6 |
| Molecular Formula | C16H13ClO3S |
| Molecular Weight | 320.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 320.79 g/mol gives 4-Methyl-3-(3-oxo-3-phenylprop-1-en-1-yl)benzene-1-sulfonyl chloride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Methyl-3-(3-oxo-3-phenylprop-1-en-1-yl)benzene-1-sulfonyl chloride (CAS 728864-86-6), molecular formula C16H13ClO3S and molecular weight 320.79 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Methyl-3-(3-oxo-3-phenylprop-1-en-1-yl)benzene-1-sulfonyl chloride (C16H13ClO3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 320.79 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), 4-Methyl-3-(3-oxo-3-phenylprop-1-en-1-yl)benzene-1-sulfonyl chloride 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 | C16H13ClO3S |
| Molecular Weight | 320.79 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.) | 1986 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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