Methyl 2-Methyl-3-(trifluoromethyl)benzoate CAS 346603-63-2
| CAS No. | 346603-63-2 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Methyl 2-Methyl-3-(trifluoromethyl)benzoate (C10H9F3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 218.17 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies Methyl 2-Methyl-3-(trifluoromethyl)benzoate (CAS 346603-63-2), a certified reference material (molecular formula C10H9F3O2, MW 218.17 g/mol) for analytical method development and quality control.
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.
As a certified reference material (CRM), Methyl 2-Methyl-3-(trifluoromethyl)benzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.17 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 2025 |
| Halogen Content | F-containing |
Recommended Standards
- Methyl 2-[3-(Trifluoromethyl)phenyl]acetate (CAS 62451-84-7)
- Methyl 2-methyl-4-(trifluoromethyl)benzoate (CAS 341030-79-3)
- Ethyl 4-(trifluoromethyl)benzoate (CAS 583-02-8)
- Methyl 3,3-difluoro-3-(2-fluorophenyl)propanoate (CAS 2113891-27-1)
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- 8-Azaspiro[bicyclo[3.2.1]octane-3,5'-oxazolidin]-2'-one hydrochloride (CAS 1949815-69-3)
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