Methyl 2-((trifluoromethyl)thio)acetate CAS 80783-58-0
| CAS No. | 80783-58-0 |
| Molecular Formula | C4H5F3O2S |
| Molecular Weight | 174.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, Methyl 2-((trifluoromethyl)thio)acetate is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 174.14 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.
Methyl 2-((trifluoromethyl)thio)acetate (CAS 80783-58-0), molecular formula C4H5F3O2S and molecular weight 174.14 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C4H5F3O2S |
| Molecular Weight | 174.14 g/mol |
| 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 | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1980 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 2-[(trifluoromethyl)sulfanyl]propanoic acid (CAS 63471-78-3)
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- 2-(Trifluoromethyl)-5-vinylpyrimidine (CAS 1147938-06-4)
- 4-(Trifluoromethyl)Benzaldehyde (CAS 455-19-6)
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Recommended Standards
- Diethynyl(phenyl)phosphine oxide (CAS 37755-67-2)
- N-Butyl 1,1,2,2-Tetrafluoroethyl Ether (CAS 358-37-2)
- 7,7-Difluorotricyclo[2.2.1.0(2,6)]Heptane-1-carboxylic acid (CAS 2408969-60-6)
- t-Butyl 1,1,2,2-tetrafluoroethyl ether (CAS 659-98-3)
- 4-Hydroxy-2-methylenebutanal (CAS 250209-01-9)
- 5-(Pentan-2-yloxy)pyridazin-3(2H)-one (CAS 1346697-77-5)
- 2-(2,6-Dimethylmorpholin-4-yl)-5-ethylsulfonylaniline (CAS 942474-77-3)
- 2-(5-Bromo-1H-indazol-3-yl)acetonitrile (CAS 1352887-90-1)
- 1-(3-Fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1402240-90-7)
- 1-(2-Nitrophenyl)ethan-1-amine (CAS 100311-54-4)
- 1-(Ethoxymethoxy)-3-fluoro-2-iodo-5-(trifluoromethyl)benzene (CAS 2878443-51-5)
- methyl 1H-imidazole-5-carboxylate;hydrochloride (CAS 127607-71-0)
- tert-Butyl 4-{4-[(Z)-N'-[(Z)-4-tert-butylbenzoyloxy]carbamimidoyl]phenyl}piperazine-1-carboxylate (CAS 1273562-42-7)
- Semaglutide impurity 73 (CAS CATO-C4X-222673)
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