Methyl 3-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate CAS 1820607-27-9
| CAS No. | 1820607-27-9 |
| Molecular Formula | C15H10F4O2 |
| Molecular Weight | 298.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 3-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate (CAS 1820607-27-9) is a high-purity analytical reference standard with the molecular formula C15H10F4O2 and a molecular weight of 298.23 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system, Methyl 3-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 298.23 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.
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 | C15H10F4O2 |
| Molecular Weight | 298.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
Related Methyl Standards
- 2-(3'-Fluoro-4-(trifluoromethyl)biphenyl-3-yl)acetic acid (CAS 1214376-30-3)
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- 6-FLuoro-3'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester (CAS 1261549-13-6)
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Recommended Standards
- 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine (CAS 16172-96-6)
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