Methyl 3-(3-acetylphenyl)-4-fluorobenzoate CAS 1820641-53-9
| CAS No. | 1820641-53-9 |
| Molecular Formula | C16H13FO3 |
| Molecular Weight | 272.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3-(3-acetylphenyl)-4-fluorobenzoate (CAS 1820641-53-9), molecular formula C16H13FO3 and molecular weight 272.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 3-(3-acetylphenyl)-4-fluorobenzoate (C16H13FO3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C16H13FO3 |
| Molecular Weight | 272.27 g/mol |
| Appearance | Pale yellow to 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
Related Methyl Standards
- Methyl 4-(3-acetylphenyl)-2-fluorobenzoate (CAS 1820606-92-5)
- Methyl 4-(4-acetylphenyl)-3-fluorobenzoate (CAS 1820614-55-8)
- Methyl 3-(2-acetylphenyl)-5-fluorobenzoate (CAS 1820618-59-4)
- Methyl 4-(3-acetylphenyl)-3-fluorobenzoate (CAS 1820619-33-7)
- Methyl 4-(2-acetylphenyl)-2-fluorobenzoate (CAS 1820648-54-1)
- Methyl 5-(3-acetylphenyl)-2-fluorobenzoate (CAS 1820649-52-2)
- Methyl 3-(4-acetylphenyl)-4-fluorobenzoate (CAS 1820706-96-4)
- Methyl 3-(3-acetylphenyl)-5-fluorobenzoate (CAS 1820711-23-6)
Recommended Standards
- (E)-3-(4-((4-fluorobenzyl)oxy)phenyl)acrylic acid (CAS 175136-19-3)
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- Hexyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate (CAS 174582-14-0)
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- N-allyl-2-(2-(2-chlorophenyl)-4-phenylthiazol-5-yl)acetamide (CAS 338957-46-3)
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