for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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.
Description
DFES-Na provides a direct approach to fluorinated heteroarylether bioisosteres by appending a 1,1-difluoroethyl group operationally simple and robust protocol. This reagent was developed by the Baran Group and is one of several reagents for the direct alkylation of heterocycles.Learn More at theProfessor and Product Portal of Professor Phil S. Baran.Baran Diversinates(TM) Lead Diversification and Metabolism Prediction Flyer
| Canonical Smiles | CC(F)(F)S(=O)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;1,1-difluoroethanesulfinate |
| InChIKey | YAUVUSSCQUHHFC-UHFFFAOYSA-M |
| INCHI | 1S/C2H4F2O2S.Na/c1-2(3,4)7(5)6;/h1H3,(H,5,6);/q;+1/p-1 |
| Isomeric SMILES | CC(F)(F)S(=O)[O-].[Na+] |
| WGK Germany | 3 |
| PubChem CID | 117065045 |
| Molecular Weight | 152.10 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Sulfinic acids and derivatives |
| Subclass | Alkanesulfinic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkanesulfinic acids and derivatives |
| Alternative Parents | Organic metal halides Organosulfur compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alkanesulfinic acid or derivatives - Organic metal halide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkanesulfinic acids and derivatives. These are organosulfur compounds containing an aliphatic group attached to a sulfinic acid group (or a derivative thereof), with the general formula RSO2R' (R= alkyl, R'=any atom). |
| External Descriptors | Not available |
| Molecular Weight | 152.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 151.972 Da |
| Monoisotopic Mass | 151.972 Da |
| Topological Polar Surface Area | 59.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 96.000 |
| 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 | 2 |
