≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(C2=C(CCO1)SC=C2)CC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F |
|---|---|
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 2-(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)acetate |
| InChIKey | BUMVUDPJNUNDAR-UHFFFAOYSA-N |
| INCHI | 1S/C16H11F5O3S/c1-16(7-3-5-25-8(7)2-4-23-16)6-9(22)24-15-13(20)11(18)10(17)12(19)14(15)21/h3,5H,2,4,6H2,1H3 |
| Isomeric SMILES | CC1(C2=C(CCO1)SC=C2)CC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F |
| PubChem CID | 24229642 |
| Molecular Weight | 378.32 |
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 | Benzenoids |
| Class | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Thienopyrans Phenoxy compounds Fatty acid esters Fluorobenzenes Aryl fluorides Pyrans Heteroaromatic compounds Thiophenes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenol ester - Thienopyran - Phenoxy compound - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Pyran - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. |
| External Descriptors | Not available |
| Molecular Weight | 378.300 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 378.035 Da |
| Monoisotopic Mass | 378.035 Da |
| Topological Polar Surface Area | 63.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 496.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![Pentafluorophenyl (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)acetate - ≥95% , CAS No.916766-89-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)