3-((3-(Trifluoromethyl)benzyl)oxy)thiophene-2-carboxylic acid CAS 339009-59-5
| CAS No. | 339009-59-5 |
| Molecular Formula | C13H9F3O3S |
| Molecular Weight | 302.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 302.27 g/mol gives 3-((3-(Trifluoromethyl)benzyl)oxy)thiophene-2-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-((3-(Trifluoromethyl)benzyl)oxy)thiophene-2-carboxylic acid (CAS 339009-59-5), molecular formula C13H9F3O3S and molecular weight 302.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-((3-(Trifluoromethyl)benzyl)oxy)thiophene-2-carboxylic acid (C13H9F3O3S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C13H9F3O3S |
| Molecular Weight | 302.27 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-[(3-methylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CAS 886502-96-1)
- 4-Methyl-2-((3-(trifluoromethyl)phenyl)amino)thiazole-5-carboxylic acid (CAS 928003-03-6)
- 2-(2-{[2-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)acetic acid (CAS 927983-65-1)
- 7-Methoxy-2-(trifluoromethyl)-1,2-dihydro-4H-thieno[2,3-c]chromen-4-one (CAS 381700-17-0)
- 1-Methyl-2-(naphthalen-2-yl)-1H-indole (CAS 244141-64-8)
- Δ6a,10a-Tetrahydrocannabinol (>85%) (CAS 7663-50-5)
- Diethyl 2-methylpentanedioate (CAS 18545-83-0)
- 7-Iodofuro[3,2-c]pyridine-2-carboxylic Acid (CAS 895126-66-6)
- Anhydro Simvastatin Acid Sodium Salt (CAS 393825-04-2)
- 6-Fluorobenzo[d]thiazole (CAS 118220-71-6)
- 1-Acetyl-3-piperidineacetic Acid (CAS 169253-07-0)
- 2-((2,8-Dimethylquinolin-4-yl)oxy)-N-phenylacetamide (CAS 1266337-55-6)
- Relugolix Impurity N1 (CAS 1801551-07-4)
- Insulin Degludec Impurity 18 (CAS CATO-C4X-215718)
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