Sodium difluoro(oxalato)borate CAS 2102517-30-4

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Identification

CAS Number

2102517-30-4

Name

Sodium difluoro(oxalato)borate

Synonyms

NaDFOB
sodium 2,2-difluoro-1,3-dioxa-2-boranuidacyclopentane-4,5-dione

SMILES

[B-]1(OC(=O)C(=O)O1)(F)F.[Na+]

StdInChI

InChI=1S/C2BF2O4.Na/c4-3(5)8-1(6)2(7)9-3;/q-1;+1

StdInChIKey

HRRQLROHUSYBRX-UHFFFAOYSA-N

Molecular Formula

C2BF2NaO4

Molecular Weight

159.82

Properties

Appearance

White powder

Safety Data

Signal Word

Danger

Hazard statements

H314,H318

Precautionary Statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

RIDADR 

NONH for all modes of transport

WGK Germany

3

Specifications and Other Information of Our Sodium difluoro(oxalato)borate CAS 2102517-30-4

Identification Methods

HNMR, HPLC

Purity

99.9% min

Shelf Life

2 years

Storage

Under room temperature away from light

Advantages

1. Excellent Electrochemical Stability
   The PF₆⁻ anion possesses a wide electrochemical stability window; consequently, it is resistant to decomposition even under high-voltage conditions.
   This makes it suitable for high-voltage battery systems, where it contributes to improved cycling performance. This is a primary reason why it is widely utilized in lithium-ion batteries, sodium-ion batteries, and supercapacitors.
2. Superior Ionic Conductivity
   In carbonate-based solvents, NaPF₆ exhibits excellent solubility, strong dissociation capabilities, and high conductivity. As a result, it helps to reduce internal battery resistance, enhance rate performance, and improve low-temperature performance.
3. PF₆⁻ is a Weakly Coordinating Anion
   PF₆⁻ demonstrates weak coordination affinity toward metal cations. This offers several advantages: it minimizes interference with reaction active sites, facilitates ion migration, and promotes the formation of stable electrolyte systems. Consequently, it is extensively employed in organic synthesis, catalysis, coordination chemistry, and ionic liquids.
4. Promotes the Formation of a Stable SEI Film
   Within battery systems, the decomposition of PF₆⁻ generates a fluorine-containing interfacial layer, which aids in the formation of a stable SEI (Solid Electrolyte Interphase) film. This, in turn, extends cycle life, improves interfacial stability, and minimizes side reactions.
5. Achievable High Purity Levels
   Battery-grade NaPF₆ can typically be controlled to possess extremely low levels of moisture, metal ions, and HF impurities.
   Therefore, it is ideally suited for use in high-end batteries, semiconductor electrochemistry, and precision electronic materials.

Known Application

1. Research on Electrolytes for Lithium and Sodium Batteries
   NaPF₆ serves as an electrolyte salt for Sodium-ion Batteries (SIBs) and acts as a supporting electrolyte in electrochemical research. For instance, it is soluble in carbonate-based solvent systems such as EC/DEC, PC, and DMC. Due to the superior electrochemical stability and high ionic conductivity of the PF₆⁻ anion, NaPF₆ is frequently utilized in the development of laboratory-scale battery systems.
2. Anion Exchange Agents in Organic Synthesis
   As PF₆⁻ is classified as a weakly coordinating anion, NaPF₆ is commonly employed to: convert halide salts into hexafluorophosphate salts, synthesize quaternary ammonium PF₆ salts, prepare ionic liquids, and facilitate anion exchange in metal complexes.
3. Supporting Electrolytes in Electrochemistry
   It functions as a conductive salt in various electrochemical applications, including cyclic voltammetry (CV), electrodeposition, supercapacitors, and electrocatalysis research.
4. Functional Materials and Coordination Chemistry
   It is utilized in the construction of PF₆⁻ coordination systems within the fields of metal-organic frameworks (MOFs), coordination chemistry, OLED materials, and luminescent materials.
5. Intermediates for Ionic Liquids
   Many PF₆-based ionic liquids are synthesized via anion exchange reactions utilizing NaPF₆.

Links

This product is developed by our R&D company Warshel Chemical Ltd (https://www.warshel.com/).

This product is developed by our R&D company Watson International Ltd (https://www.watson-int.com/).