4-Chloro-2,3,6-trifluorophenylacetic acid CAS 537033-63-9
| CAS No. | 537033-63-9 |
| Molecular Formula | C8H4ClF3O2 |
| Molecular Weight | 224.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 224.56 g/mol gives 4-Chloro-2,3,6-trifluorophenylacetic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Chloro-2,3,6-trifluorophenylacetic acid (CAS 537033-63-9), molecular formula C8H4ClF3O2 and molecular weight 224.56 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-Chloro-2,3,6-trifluorophenylacetic acid (C8H4ClF3O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C8H4ClF3O2 |
| Molecular Weight | 224.56 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 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.) | 1984 |
| Halogen Content | F/Cl-containing |
Related Chloro Standards
- 2-(3-Chloro-4-fluorophenyl)-2,2-difluoroacetic acid (CAS 1027514-19-7)
- 2-Chloro-4-(trifluoromethoxy)benzaldehyde (CAS 1079351-20-4)
- 5-Chloro-2-(trifluoromethoxy)benzaldehyde (CAS 1092461-15-8)
- 3-Chloro-4-(trifluoromethyl)benzoic Acid (CAS 115754-20-6)
- Methyl 3-chloro-2,4,5-trifluorobenzoate (CAS 1214375-02-6)
- 4-Chloro-2-(trifluoromethoxy)benzaldehyde (CAS 1261442-48-1)
- 3-Chloro-2-(trifluoromethoxy)benzaldehyde (CAS 1261498-32-1)
- 2-Chloro-6-(trifluoromethoxy)benzaldehyde (CAS 1261822-56-3)
Recommended Standards
- 4-(Trifluoromethyl)phenyl carbonochloridate (CAS 34857-66-4)
- 4-Chloro-3-(difluoromethyl)-2-fluorobenzoic acid (CAS 2386446-01-9)
- 4-(Trifluoromethoxy)benzoyl Chloride (CAS 36823-88-8)
- 4-Chloro-3-(trifluoromethoxy)benzaldehyde (CAS 886499-59-8)
- (5-(4-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl acetate (CAS 318469-30-6)
- Ethyl 9H-carbazole-3-carboxylate (CAS 51035-14-4)
- 2-Methyl-2-(4-nitrophenyl)propanoic Acid (CAS 42206-47-3)
- Cisatracurium Besilate EP Impurity A (CAS 1075727-06-8)
- 8-Phenyl-1,4-dioxa-8-azaspiro[4.5]decane (CAS 198649-62-6)
- 2-(4-Bromo-2-chloro-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1111096-22-0)
- Tadalafil Impurity 156 (CAS 378788-16-0)
- 6-Chloro-3-(3-chlorobenzyl)-2-methoxyquinoline (CAS 1355196-55-2)
- 5-Hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one (CAS 1038924-50-3)
- Tirzepatide Impurity 11 TFA salt (CAS CATO-C4X-324011)
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