Methyl 2-fluoro-3-(trifluoromethoxy)benzoate CAS 1803825-64-0
| CAS No. | 1803825-64-0 |
| Molecular Formula | C9H6F4O3 |
| Molecular Weight | 238.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 2-fluoro-3-(trifluoromethoxy)benzoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 2-fluoro-3-(trifluoromethoxy)benzoate (CAS 1803825-64-0) is a high-purity analytical reference standard with the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol.
Methyl 2-fluoro-3-(trifluoromethoxy)benzoate (C9H6F4O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C9H6F4O3 |
| Molecular Weight | 238.14 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
Related Methyl Standards
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Recommended Standards
- Methyl 2-fluoro-4-(trifluoromethoxy)benzoate (CAS 1803800-94-3)
- Methyl 2-fluoro-6-(trifluoromethoxy)benzoate (CAS 1803831-03-9)
- 2,2,2-Trifluoroethyl N-(5-fluoropyridin-3-yl)carbamate (CAS 1690543-74-8)
- Methyl 3-fluoro-4-(trifluoromethoxy)benzoate (CAS 1803831-09-5)
- 2,2,2-Trifluoro-1-(4-methoxyphenyl)ethyl Bromide (CAS 104395-39-3)
- 3-Fluoro-2-iodobenzoic acid (CAS 387-48-4)
- 4-chloro-3-fluoropyridine (CAS 2546-56-7)
- 1-(Ethylcarbamoyl)piperidine-3-carboxylic acid (CAS 923106-39-2)
- N-(3,4-difluorophenyl)azetidine-3-carboxamide (CAS 1829905-71-6)
- 3-((3-(Trifluoromethyl)phenyl)diazenyl)-1H-indol-2-ol (CAS 321980-19-2)
- 1-Cyclopropyl-5-(5-fluoro-2-hydroxy-benzoyl)-2-oxo-1,2-dihydro-pyridine-3-carbonitrile (CAS 568553-93-5)
- 2-(Aminomethyl)-1H-benzo[d]imidazol-5-amine (CAS 485347-82-8)
- 2-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine (CAS 99503-55-6)
- Semaglutide impurity 101 (CAS CATO-C4X-2226101)
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