pentan-3-yl trifluoromethanesulfonate CAS 191211-62-8
| CAS No. | 191211-62-8 |
| Molecular Formula | C6H11F3O3S |
| Molecular Weight | 220.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of pentan-3-yl trifluoromethanesulfonate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
pentan-3-yl trifluoromethanesulfonate (CAS 191211-62-8), molecular formula C6H11F3O3S and molecular weight 220.21 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C6H11F3O3S, pentan-3-yl trifluoromethanesulfonate contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 220.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C6H11F3O3S |
| Molecular Weight | 220.21 g/mol |
| Purity | >95% |
| 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, water |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 0.0 |
| CAS Registry Year (est.) | 2011 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1-(3-TRIFLUOROMETHYLSULFANYL-PHENYL)-ETHANONE 1-(3-[(TRIFLUOROMETHYL)SULFANYL]PHENYL)ETHAN-1-ONE 3'-(Trifluoromethylthio)acetophenone 3-(TRIFLUOROMETHYLTHIO)ACETOPHENONE 56773-33-2 AS05211 (CAS 56773-33-2)
- Flunarizine Impurity 8 (CAS 365-24-2)
- 2-(3,5-difluorophenyl)-2-oxoacetic acid ethyl ester 208259-57-8 A814951 ethyl 2-[3,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethanoate (CAS 208259-57-8)
- Riluzole Impurity 9 (CAS 1736-72-7)
- 4-Bromo-7-methyl-1H-indole-2-carboxylic acid (CAS 909873-84-3)
- 5-Bromo-2-fluoro-4-methylsulfonylaniline (CAS 1020722-18-2)
- N,N,3-Trimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CAS 2137463-30-8)
- 4-[2-(β-D-Glucopyranosyloxy)ethyl]-4-hydroxy-2,5-cyclohexadien-1-one (CAS 40661-45-8)
- (E)-4-((4-bromophenyl)amino)-4-oxobut-2-enoic acid (CAS 843664-90-4)
- Tobramycin (CAS 32986-56-4)
- 2-amino-2-(oxan-3-yl)ethan-1-ol hydrochloride (CAS 1909308-51-5)
- (11bS)-N,N-Dipropyldinaphtho[2,1-d:1’,2’-f][1,3,2]dioxaphosphepin-4-amine (CAS 802902-36-9)
- Rupatadine impurity 17 (CAS CATO-C4X-102717)
- Semaglutide Impurity 131 (CAS 2618647-80-4)
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