Methyl 5-chloro-2-(trifluoromethoxy)benzoate CAS 1261753-05-2
| CAS No. | 1261753-05-2 |
| Molecular Formula | C9H6ClF3O3 |
| Molecular Weight | 254.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 5-chloro-2-(trifluoromethoxy)benzoate (CAS 1261753-05-2) is a high-purity analytical reference standard with the molecular formula C9H6ClF3O3 and a molecular weight of 254.59 g/mol.
Based on its molecular formula C9H6ClF3O3, Methyl 5-chloro-2-(trifluoromethoxy)benzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 254.59 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C9H6ClF3O3 |
| Molecular Weight | 254.59 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.) | 1990 |
| Halogen Content | F/Cl-containing |
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Recommended Standards
- Methyl 2-chloro-5-(trifluoromethoxy)benzoate (CAS 1261649-12-0)
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- 3-Chloro-4-methoxy-5-(trifluoromethyl)benzoic acid (CAS 1272528-86-5)
- 2-(6-Bromo-3-chloropyridin-2-yl)propan-2-ol (CAS 2639836-33-0)
- (3-Chloro-2-fluorobenzyl)(3,5-difluorophenyl)sulfane (CAS 1443302-85-9)
- 2-Amino-4-methoxy-2-methylbutanoic acid (CAS 91724-73-1)
- 5-Methyl-2-nitrobenzonitrile (CAS 64113-86-6)
- 2-((Tert-butoxycarbonyl)amino)thieno[3,2-b]pyridine-3-carboxylic acid (CAS 1257420-62-4)
- 3-(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol (CAS 83724-99-6)
- 2,2,2-Trifluoroethyl n-(3-methylphenyl)carbamate (CAS 96445-22-6)
- 3-Chloro-2-fluoro-6-(trifluoromethyl)benzenesulfonyl chloride (CAS 1706461-25-7)
- (S)-2-(3,4-Dimethylphenyl)piperidine (CAS 1213162-87-8)
- Glucagon Monohydrochloride (CAS 28270-04-4)
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