Determine the necessary mass, volume, or concentration for preparing a solution.
≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCOC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F |
|---|---|
| IUPAC Name | ethyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate |
| InChIKey | UDJNHUAEPSYCRU-LLVKDONJSA-N |
| INCHI | 1S/C13H15F3O5S/c1-2-20-12(17)11(21-22(18,19)13(14,15)16)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m1/s1 |
| Isómeros SMILES | CCOC(=O)[C@@H](CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F |
| Peso molecular | 340.31 |
| Reaxy-Rn | 4712688 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4712688&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Alkanesulfonic acids and derivatives - Alkanesulfonic acids |
| Direct Parent | Trifluoromethanesulfonates |
| Alternative Parents | Fatty acid esters Sulfonic acid esters Organosulfonic acid esters Monosaccharides Benzene and substituted derivatives Sulfonyls Methanesulfonates Trihalomethanes Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethanesulfonate - Fatty acid ester - Monocyclic benzene moiety - Monosaccharide - Sulfonic acid ester - Fatty acyl - Benzenoid - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Carboxylic acid ester - Trihalomethane - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Halomethane - Alkyl halide - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group. |
| External Descriptors | Not available |
| Sensibilidad | light sensitive |
|---|---|
| Índice de refracción | 1.45 |
| Punto de inflamación (°C) | 190 °C |
| Peso molecular | 340.320 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 340.059 Da |
| Monoisotopic Mass | 340.059 Da |
| Topological Polar Surface Area | 78.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 449.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |