Skip to the beginning of the images gallery

Sodium 1,1-difluoroethanesulfinate , CAS No.1422738-67-7

COA

Cas Number: 1422738-67-7
Molecular Weight: 152.10
MDL number: MFCD23704444
PubChem CID: 117065045

In stock

Item Number

S486698

Grouped product items
SKU	Size	Availability	Price
S486698-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90
S486698-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90
S486698-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$676.90
S486698-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$6,257.90

Basic Description

Synonyms	sodium;1,1-difluoroethanesulfinate \| 1422738-67-7 \| MFCD23704444 \| Sodium1,1-difluoroethane-1-sulfinate \| Sodium 1,1-difluoroethane-1-sulfinate \| EN300-7091270 \| YAUVUSSCQUHHFC-UHFFFAOYSA-M \| SCHEMBL18261912 \| Sodium 1,1-difluoroethanesulfinate \| Sodium 1
Storage Temp	Argon charged
Shipped In	Normal
Product Description	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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Sulfinic acids and derivatives
    - Subclass Alkanesulfinic acids and derivatives

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	sodium;1,1-difluoroethanesulfinate
INCHI	InChI=1S/C2H4F2O2S.Na/c1-2(3,4)7(5)6;/h1H3,(H,5,6);/q;+1/p-1
InChIKey	YAUVUSSCQUHHFC-UHFFFAOYSA-M
Smiles	CC(F)(F)S(=O)[O-].[Na+]
Isomeric SMILES	CC(F)(F)S(=O)[O-].[Na+]
WGK Germany	3
PubChem CID	117065045
Molecular Weight	152.10

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

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 Å²
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

Documents & Articles

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration