[1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methyl 4-methylbenzenesulfonate CAS 2770347-99-2
| CAS No. | 2770347-99-2 |
| Molecular Formula | C14H15F3O4S |
| Molecular Weight | 336.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
[1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methyl 4-methylbenzenesulfonate (CAS 2770347-99-2), molecular formula C14H15F3O4S and molecular weight 336.33 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of [1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methyl 4-methylbenzenesulfonate (C14H15F3O4S) 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.
Physical & Chemical Properties
| Molecular Formula | C14H15F3O4S |
| Molecular Weight | 336.33 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
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- N-(3-methoxybenzyl)acetamide (CAS 174688-81-4)
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- Tert-butyl ((1H-benzo[d][1,2,3]triazol-1-yl)methyl)(phenethyl)carbamate (CAS 681443-10-7)
- N-(5-(Thiophen-2-yl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide (CAS 865288-11-5)
- Tau Peptide (74-102) (Exon 3/Insert 2 Domain) trifluoroacetate salt (CAS 1322695-34-0)
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