4-(3-Chloro-4-methoxyphenyl)-4-oxobutanoic acid CAS 39496-87-2
| CAS No. | 39496-87-2 |
| Molecular Formula | C11H11ClO4 |
| Molecular Weight | 242.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 242.66 g/mol gives 4-(3-Chloro-4-methoxyphenyl)-4-oxobutanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-(3-Chloro-4-methoxyphenyl)-4-oxobutanoic acid (CAS 39496-87-2), molecular formula C11H11ClO4 and molecular weight 242.66 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(3-Chloro-4-methoxyphenyl)-4-oxobutanoic acid (C11H11ClO4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 242.66 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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.
Physical & Chemical Properties
| Molecular Formula | C11H11ClO4 |
| Molecular Weight | 242.66 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | Cl-containing |
Related Chloro Standards
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