2-(3-Fluorophenyl)-2-oxoacetic acid CAS 79477-87-5
| CAS No. | 79477-87-5 |
| Molecular Formula | C8H5FO3 |
| Molecular Weight | 168.12 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.
2-(3-Fluorophenyl)-2-oxoacetic acid (CAS 79477-87-5) is a high-purity analytical reference standard with the molecular formula C8H5FO3 and a molecular weight of 168.12 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 2-(3-Fluorophenyl)-2-oxoacetic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 168.12 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H5FO3 |
| Molecular Weight | 168.12 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.) | 1979 |
| Halogen Content | F-containing |
Related Fluorophenyl Standards
- 2-(4-Fluorophenyl)-2-oxoacetic acid (CAS 2251-76-5)
- (2-Fluorophenyl)-oxoacetic acid (CAS 79477-86-4)
- 2-(2-Fluorophenyl)-1,3-dioxolane (CAS 133393-02-9)
- 2-(3-Fluorophenyl)-1,3-dioxolane (CAS 136835-12-6)
- (R)-2-(3-Fluorophenyl)propanoic acid (CAS 150360-25-1)
- (R)-2-(4-fluorophenyl)propanoic acid (CAS 150360-26-2)
- (R)-2-(2-Fluorophenyl)propanoic acid (CAS 1630423-26-5)
- 3-(2-Fluorophenyl)propionic acid (CAS 1643-26-1)
Recommended Standards
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