Sodium 3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate CAS 53009-81-7
| CAS No. | 53009-81-7 |
| Molecular Formula | C9H6FO2 |
| Molecular Weight | N/A |
| 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.
Sodium 3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate (CAS 53009-81-7), molecular formula C9H6FO2Na and molecular weight 188.13 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, Sodium 3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 188.13 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H6FO2 Na |
| Molecular Weight | 188.13 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | F-containing |
Related Sodium Standards
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- 3-(3-Fluorophenyl)-3-oxopropanoic acid (CAS 1000530-96-0)
- Ethyl 1-(4-fluorophenyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate (CAS 1000573-68-1)
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- 100074-04-2 5-(4-Fluorophenyl)-1-pentene MFCD11553774 (CAS 100074-04-2)
- 3-(2-Fluorophenyl)-4-hydroxyfuran-2(5H)-one (CAS 100074-44-0)
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Recommended Standards
- 2-((tert-Butoxycarbonyl)amino)-5-methoxybenzoicacid (CAS 262614-64-2)
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- 4-Methylnaphthalene-1-sulfonyl chloride (CAS 10447-11-7)
- 2,5-Dihydroxy-4-(phenylmethoxy)benzoic Acid (CAS 66910-91-6)
- 1-Methyl-6-(trifluoromethyl)uracil (CAS 203938-27-6)
- 2-amino-N-(2-chlorophenyl)-2-(phenylhydrazinylidene)acetamide 2-azanyl-N-(2-chlorophenyl)-2-(phenylhydrazinylidene)ethanamide 475162-11-9 A827261 (CAS 475162-11-9)
- 5-((Phenylthio)methyl)-1,3,4-thiadiazol-2-amine (CAS 88743-03-7)
- 6-Chloro-2-methyl-1H-benzo[d]imidazol-4-amine (CAS 501688-77-3)
- (S)-1-Cbz-3-isopropyl-piperazine (CAS 1187930-14-8)
- Semaglutide impurity 31 (CAS CATO-C4X-222631)
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