2-(Trifluoromethyl)-1,3-oxathiolan-5-one CAS 79413-31-3
| CAS No. | 79413-31-3 |
| Molecular Formula | C4H3F3O2S |
| Molecular Weight | 172.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(Trifluoromethyl)-1,3-oxathiolan-5-one.
2-(Trifluoromethyl)-1,3-oxathiolan-5-one (CAS 79413-31-3) is a high-purity analytical reference standard with the molecular formula C4H3F3O2S and a molecular weight of 172.13 g/mol.
The molecular framework of 2-(Trifluoromethyl)-1,3-oxathiolan-5-one (C4H3F3O2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. 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 | C4H3F3O2S |
| Molecular Weight | 172.13 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) | 2.0 |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
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Recommended Standards
- 2-(Difluoromethyl)benzoic Acid (CAS 799814-32-7)
- 2,2-Difluoro-4-methylbenzo[d][1,3]dioxole (CAS 72769-03-0)
- 2-(Difluoromethoxy)benzaldehyde (CAS 71653-64-0)
- 2,2-Difluoro-5-methylbenzo[d][1,3]dioxole (CAS 68119-29-9)
- 2-Pyridin-4-ylquinoline-4-carbonyl chloridehydrochloride (CAS 174636-68-1)
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- 2-(Diphenylphosphino)-N-[2-(diphenylphosphino)ethyl]-N-(2-methoxyethyl)ethanamine (CAS 30853-94-2)
- (s)-1-(3-Bromobenzyl)pyrrolidin-3-amine dihydrochloride (CAS 1286208-86-3)
- N-(2-Fluorobenzyl)pentan-1-amine (CAS 1185429-72-4)
- n-(2-(Allylamino)-2-oxoethyl)-4-bromobenzamide (CAS 923198-21-4)
- 2-((4-Nitrobenzyl)thio)quinazolin-4(3h)-one (CAS 449745-74-8)
- 1h-Imidazole-4-sulfonamide (CAS 58768-75-5)
- N-(5-(1-Methyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl)-2-(p-tolyl)acetamide (CAS 1170962-48-7)
- Antiarrhythmic peptide (cattle atrium) (CAS 81771-37-1)
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