(S)-4-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid CAS 130534-97-3
| CAS No. | 130534-97-3 |
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (S)-4-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies (S)-4-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid (CAS 130534-97-3), a certified reference material (molecular formula C9H7F3O3, MW 220.15 g/mol) for analytical method development and quality control.
Structurally, (S)-4-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid (C9H7F3O3) 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 220.15 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.
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 | C9H7F3O3 |
| Molecular Weight | 220.15 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.) | 1994 |
| Halogen Content | F-containing |
Related S Standards
- 4,4,4-Trifluoro-1-(1-methyl-1h-pyrazol-4-yl)butane-1,3-dione (CAS 1005592-50-6)
- 4,4,4-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)butane-1,3-dione (CAS 1006319-27-2)
- Ethyl 2,3,5-trifluoro-4-hydroxybenzoate (CAS 1214351-42-4)
- 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-amine (CAS 1248504-66-6)
- 2,2,2-Trifluoro-1-(4-nitrophenyl)ethanamine (CAS 1270543-98-0)
- Ethyl 2,4,5-trifluoro-3-hydroxybenzoate (CAS 128426-84-6)
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- 3-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid (CAS 1555494-89-7)
Recommended Standards
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- 4-Methoxy-2-(trifluoromethyl)benzoic acid (CAS 127817-85-0)
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