Ethyl 4-(4-iodophenyl)-4-oxobutanoate CAS 898777-39-4
| CAS No. | 898777-39-4 |
| Molecular Formula | C12H13IO3 |
| Molecular Weight | 332.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 4-(4-iodophenyl)-4-oxobutanoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 4-(4-iodophenyl)-4-oxobutanoate (CAS 898777-39-4), molecular formula C12H13IO3 and molecular weight 332.13 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H13IO3, Ethyl 4-(4-iodophenyl)-4-oxobutanoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 332.13 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C12H13IO3 |
| Molecular Weight | 332.13 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 |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, 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.) | 1987 |
| Halogen Content | I-containing |
Related Ethyl Standards
- 6-(2-Iodophenyl)-6-oxohexanoic acid (CAS 898790-71-1)
- 6-(3-Iodophenyl)-6-oxohexanoic acid (CAS 898790-86-8)
- 6-(4-Iodophenyl)-6-oxohexanoic acid (CAS 854658-73-4)
- Ethyl 4-(2-iodophenyl)-4-oxobutanoate (CAS 263273-52-5)
- Ethyl 4-(3-iodophenyl)-4-oxobutanoate (CAS 898777-24-7)
- 2-(4-Iodophenyl)quinoxaline (CAS 31827-86-8)
- n-(2-Iodophenyl)morpholine-4-carboxamide (CAS 349119-08-0)
- n-(4-Iodophenyl)morpholine-4-carboxamide (CAS 329227-81-8)
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