(E)-3-oxo-1,3-dihydrobenzo[c]thiophene-1-carbaldehyde O-(4-chlorobenzyl) oxime CAS 338954-46-4
| CAS No. | 338954-46-4 |
| Molecular Formula | C16H12ClNO2S |
| Molecular Weight | 317.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
CATO supplies (E)-3-oxo-1,3-dihydrobenzo[c]thiophene-1-carbaldehyde O-(4-chlorobenzyl) oxime (CAS 338954-46-4), a certified reference material (molecular formula C16H12ClNO2S, MW 317.79 g/mol) for analytical method development and quality control.
Structurally, (E)-3-oxo-1,3-dihydrobenzo[c]thiophene-1-carbaldehyde O-(4-chlorobenzyl) oxime (C16H12ClNO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 317.79 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C16H12ClNO2S |
| Molecular Weight | 317.79 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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