2-Hydroxy-5-((trifluoromethyl)thio)benzoic acid CAS 129644-58-2
| CAS No. | 129644-58-2 |
| Molecular Formula | C8H5F3O3S |
| Molecular Weight | 238.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 2-Hydroxy-5-((trifluoromethyl)thio)benzoic acid (CAS 129644-58-2), a certified reference material (molecular formula C8H5F3O3S, MW 238.18 g/mol) for analytical method development and quality control.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 2-Hydroxy-5-((trifluoromethyl)thio)benzoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 238.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H5F3O3S |
| Molecular Weight | 238.18 g/mol |
| 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 |
| Sulfur Atoms | 1 |
Related Hydroxy Standards
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Recommended Standards
- 3-((Trifluoromethyl)sulfonyl)benzaldehyde (CAS 1274904-33-4)
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- N-(3-(trifluoromethyl)phenyl)carbonohydrazonoyl dicyanide (CAS 3720-41-0)
- 1186306-84-2 2-Chloro-6-(trifluoromethyl)nicotinoyl chloride (CAS 1186306-84-2)
- Propane-1,3-diylbis(dicyclohexylphosphonium) Tetrafluoroborate (CAS 1002345-50-7)
- 3-Ethyltetracosane (CAS 55282-17-2)
- Spinosad J (CAS 1382419-14-8)
- 3-Methylazetidine benzenesulfonate (CAS 1188263-80-0)
- 10-(4-Fluorophenyl)-9,10-dihydroacridine (CAS 366015-67-0)
- Tert-butyl 4,4-dimethyl-1-oxa-6-azaspiro[2.5]Octane-6-carboxylate (CAS 1955531-11-9)
- n-Cyclohexylthiophen-3-amine (CAS 1466890-46-9)
- 4-(Chloromethyl)-2-(3,5-dichlorophenyl)-1,3-oxazole (CAS 1178476-14-6)
- D-Ser39-Tirzepatide (CAS CATO-CPTD788694)
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