≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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.
| Canonical Smiles | CC1=C(C=CC2=C1COC2=O)OS(=O)(=O)C(F)(F)F |
|---|---|
| IUPAC Name | (4-methyl-1-oxo-3H-2-benzofuran-5-yl) trifluoromethanesulfonate |
| InChIKey | VEUQZWVGMYVTMY-UHFFFAOYSA-N |
| INCHI | 1S/C10H7F3O5S/c1-5-7-4-17-9(14)6(7)2-3-8(5)18-19(15,16)10(11,12)13/h2-3H,4H2,1H3 |
| Isomeric SMILES | CC1=C(C=CC2=C1COC2=O)OS(=O)(=O)C(F)(F)F |
| PubChem CID | 86647292 |
| Molecular Weight | 296.22 |
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 | Organoheterocyclic compounds |
| Class | Isocoumarans |
| Subclass | Isobenzofuranones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phthalides |
| Alternative Parents | Trifluoromethanesulfonates Sulfonic acid esters Organosulfonic acid esters Benzenoids Sulfonyls Methanesulfonates Trihalomethanes Lactones Carboxylic acid esters Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalide - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organic oxide - Alkyl halide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Halomethane - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,. |
| External Descriptors | Not available |
| Molecular Weight | 296.220 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 295.997 Da |
| Monoisotopic Mass | 295.997 Da |
| Topological Polar Surface Area | 78.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 467.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
