Methyl 2,3,6-trifluorobenzoate CAS 773873-67-9
| CAS No. | 773873-67-9 |
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Methyl 2,3,6-trifluorobenzoate (CAS 773873-67-9), a certified reference material (molecular formula C8H5F3O2, MW 190.12 g/mol) for analytical method development and quality control.
Methyl 2,3,6-trifluorobenzoate (C8H5F3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 2,3,6-trifluorobenzoate 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 | C8H5F3O2 |
| Molecular Weight | 190.12 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1986 |
| Halogen Content | F-containing |
Related Methyl Standards
- Methyl 2,3,4-trifluorobenzoate (CAS 773873-68-0)
- Methyl 2,3,5-trifluorobenzoate (CAS 773873-73-7)
- Methyl 2,4,5-Trifluorobenzoate (CAS 20372-66-1)
- Methyl 2,4,6-trifluorobenzoate (CAS 79538-28-6)
- Methyl 3,4,5-Trifluorobenzoate (CAS 773873-72-6)
- Sodium2,4,5-trifluorobenzoate (CAS 522651-48-5)
- Ethyl 2,3,4-trifluorobenzoate (CAS 351354-50-2)
- Ethyl 2,3,6-trifluorobenzoate (CAS 773134-90-0)
Recommended Standards
- Benzo[1,2-d:4,5-d']bis([1,2,3]triazole)-4,8(1H,7H)-dione (CAS 69370-63-4)
- 6-(Trifluoromethyl)salicylaldehyde (CAS 58914-35-5)
- 2-hydroxy-4-(trifluoromethyl)benzaldehyde (CAS 58914-34-4)
- 6-(Trifluoromethyl)pyridine-3-carboxamide (CAS 386715-35-1)
- Sodium tetrathionate dihydrate (CAS 13721-29-4)
- 2-(4-Benzoylphenoxy)acetic acid (CAS 6322-83-4)
- methyl 2-bromo-3-[(thian-4-yl)amino]propanoate (CAS 1694253-82-1)
- 3,3,4,4,5,5-Hexafluorocyclopent-1-ene (CAS 1005-73-8)
- (5-Phenyloxazol-2-yl)methanamine (CAS 112206-31-2)
- 1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl)ethan-1-one (CAS 1040281-85-3)
- 2,2-Difluoro-4-Methyl-1-Phenyl-3-Penten-1-One (CAS 334873-72-2)
- 2-Morpholino-5-nitroaniline (CAS 4031-79-2)
- N,N-Diethyl-4-isothiocyanatobenzenesulfonamide (CAS 99841-31-3)
- Anti-Inflammatory Peptide 2 (CAS 118850-72-9)
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