| CAS No. | 6313-39-9 |
| Molecular Formula | C11H18O4P2S4 |
| Molecular Weight | 404.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 404.47 g/mol gives Methyl 4-acetamido-3-nitrobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 4-acetamido-3-nitrobenzoate (CAS 6313-39-9), molecular formula C11H18O4P2S4 and molecular weight 404.47 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a sulfone group, a phosphate ester group, a carboxylic acid group, a hydroxyl group, an ether linkage, Methyl 4-acetamido-3-nitrobenzoate is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 404.47 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
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.
| Molecular Formula | C11H18O4P2S4 |
| Molecular Weight | 404.47 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1958 |
| Sulfur Atoms | 4 |