Ethyl 4-(3,5-difluorophenyl)-4-oxobutyrate CAS 898752-34-6
| CAS No. | 898752-34-6 |
| Molecular Formula | C12H12F2O3 |
| Molecular Weight | 242.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Ethyl 4-(3,5-difluorophenyl)-4-oxobutyrate (CAS 898752-34-6), molecular formula C12H12F2O3 and molecular weight 242.22 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H12F2O3, Ethyl 4-(3,5-difluorophenyl)-4-oxobutyrate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 242.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), Ethyl 4-(3,5-difluorophenyl)-4-oxobutyrate 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 | C12H12F2O3 |
| Molecular Weight | 242.22 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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 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 | F-containing |
Related Ethyl Standards
- Methyl 5-(3,4-difluorophenyl)-5-oxopentanoate (CAS 1267217-42-4)
- 4-(3,5-Difluorophenyl)tetrahydro-2h-pyran-4-carboxylic acid (CAS 1272271-77-8)
- 4-(2,4-Difluorophenyl)oxane-4-carboxylic acid (CAS 1423027-56-8)
- Methyl 5-(3,5-difluorophenyl)-5-oxopentanoate (CAS 1443351-35-6)
- 4-(2,6-Difluorophenyl)tetrahydro-2H-pyran-4-carboxylic acid (CAS 1522078-85-8)
- Ethyl 4-(2,4-difluorophenyl)-3-oxobutanoate (CAS 194240-96-5)
- 1-(3,4-Difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one (CAS 842124-00-9)
- 1-(3,5-Difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one (CAS 842124-03-2)
Recommended Standards
- Ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate (CAS 898752-22-2)
- N1-(2,4-Difluorophenyl)-N2-isopropyloxalamide (CAS 838883-59-3)
- Ethyl 4-(2,6-difluorophenyl)-4-oxobutyrate (CAS 493004-53-8)
- N1-(2,5-Difluorophenyl)-N2-isopropyloxalamide (CAS 941940-70-1)
- 1-Methoxy-1-(4-methoxyphenyl)propan-2-amine hydrochloride (CAS 742095-65-4)
- 5-Phospho-D-ribose 1-Diphosphate Pentasodium Salt (CAS 108321-05-7)
- 2-[(2,3,6-trimethylphenoxy)methyl]oxirane (CAS 5296-20-8)
- 2-Chloro-5-(oxetan-3-yl)pyridine (CAS 1400997-64-9)
- Sodium Morpholine-4-Carbodithioate (CAS 873-58-5)
- 3-(4-(Dimethylamino)phenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (CAS 1230-77-9)
- 2-(2-((tert-Butoxycarbonyl)amino)thiazol-5-yl)acetic acid (CAS 723278-39-5)
- 3-((3-Chloro-4-fluorophenyl)amino)-1-(thiophen-2-yl)propan-1-one (CAS 339313-12-1)
- Ethyl 4-(3-methyl-6-oxo-5,6-dihydropyridazin-1(4H)-yl)benzoate (CAS 5446-14-0)
- Protein Kinase C (alpha) Peptide (CAS 159939-84-1)
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