Sodium hexafluorophosphate (SHFP) - ≥98%(T) , CAS No.21324-39-0

CAS: 21324-39-0 Cat. No.: S161327 Molecular Weight: 167.95 EC Number: 244-333-1

GRADE & PURITY ≥98%(T)

Synonyms

SODIUMHEXAFLUOROPHOSPHATE | Q2937970 | Sodium hexafluorophosphate 99% (99.99%-Na) PURATREM (<10ppm H2O) | CHEBI:172377 | SB66346 | Sodium hexafluorophosphate Battery grade | NaPF6 | MFCD00011122 | sodium hexaflurophosphate | Sodium hexafluorophosphate 99%

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Sodium hexafluorophosphate (SHFP) can be used as a precursor to prepare electrolytes for sodium-ion batteries.
SHFP bound amberlite resin can be used as a catalyst to synthesize benzimidazoles and quinoxalines.
Itcan also be used as an ion-pairing agent for the determination of inorganicspecies in saline solutions.

Specifications

Synonyms

SODIUMHEXAFLUOROPHOSPHATE | Q2937970 | Sodium hexafluorophosphate 99% (99.99%-Na) PURATREM (<10ppm H2O) | CHEBI:172377 | SB66346 | Sodium hexafluorophosphate Battery grade | NaPF6 | MFCD00011122 | sodium hexaflurophosphate | Sodium hexafluorophosphate 99%

Specifications & Purity

≥98%(T)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: F[P-](F)(F)(F)(F)F.[Na+]
• IUPAC Name: sodium;hexafluorophosphate
• InChIKey: KMADQUOCJBLXRP-UHFFFAOYSA-N
• INCHI: 1S/F6P.Na/c1-7(2,3,4,5)6;/q-1;+1
• Isomeric SMILES: F[P-](F)(F)(F)(F)F.[Na+]
• WGK Germany: 3
• Molecular Weight: 167.95
• Reaxy-Rn: 11480059

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Alkali metal salts
      • Subclass Alkali metal fluorides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkali metal salts
• Subclass: Alkali metal fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkali metal fluorides
• Alternative Parents: Inorganic sodium salts
• Molecular Framework: Not available
• Substituents: Alkali metal fluoride - Inorganic sodium salt - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkali metal fluorides. These are inorganic compounds in which the largest halogen atom is fluorine, and the heaviest metal atom is an alkali metal.
• External Descriptors: Not available

Data sources

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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA5A Tclin Carbonic anhydrase VA (1168 Activities)

Discover Target: CA5A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Carbonic anhydrase (69 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Moisture sensitive;Hygroscopic
• Molecular Weight: 167.953 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 167.954 Da
• Monoisotopic Mass: 167.954 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 67.100
• 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

XLogP3

References

1. Guangxiang Zhang, Chi Ma, Chuankai Fu, Ziwei Liu, Haoquan Zhao, Meng Chen, Qingmo Shi, Hua Huo, Pengjian Zuo, Geping Yin, Yulin Ma.  (2023)  Anion-derived cathode interface engineering enables ether-based electrolytes for sodium-ion batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146401]

2. Xin Hou, Tianyu Li, Yanling Qiu, Mingqin Jiang, Qiong Zheng, Xianfeng Li.  (2022)  Weak coulomb interaction between anions and Na+ during solvation enabling desirable solid electrolyte interphase and superior kinetics for HC-based sodium ion batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.139932]

3. Datong Wu, Fei Pan, Li Gao, Yongxin Tao, Yong Kong.  (2020)  Enantioselective Limiting Transport into a Fixed Cavity via Supramolecular Interaction for the Chiral Electroanalysis of Amino Acids Regardless of Electroactive Units.  ANALYTICAL CHEMISTRY,      [PMID:32957775] [10.1021/acs.analchem.0c00554]

4. Longqing Huang, Qian Qiu, Ming Yang, Haoxiang Li, Jialing Zhu, Wenjun Zhang, Shuai Wang, Lan Xia, Peter Müller-Buschbaum.  (2024)  Achieving the Inhibition of Aluminum Corrosion by Dual-Salt Electrolytes for Sodium-Ion Batteries.  ACS Applied Materials & Interfaces,      [PMID:39172040] [10.1021/acsami.4c10970]

5. Guanjie Li, Dengpan Dong, Dmitry Bedrov, Qinqin Cai, Haojun Wu, Zixing Wang, Jilei Liu, Kang Xu, Lidan Xing, Weishan Li.  (2025)  Correlating electrode nano-confinement to interphase chemistry.  Joule,      [PMID:] [10.1016/j.joule.2025.101874]

6. Yaping Liu, Chao Pan, Xianjie Li, Hailin Zhang, Zhijie Shang, Hongbing Song.  (2025)  Efficient conversion of HMF to FDMC utilizing gold-based poly(ionic liquid)s with bis(trifluoromethylsulfonyl)imide anion.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2025.121541]

7. Yuchen Li, Qi Wang, Xuetong Zhao, Binlang He, Yongjian Xiao, Jing Guo, Lijun Yang, Ruijin Liao.  (2024)  High ionic conductive sodium β-alumina (SBA) and SBA-NaPF6 composite solid electrolytes prepared by cold sintering process.  CERAMICS INTERNATIONAL,      [PMID:] [10.1016/j.ceramint.2024.11.111]

8. Tang Mengyao, Dong Shuai, Yue Ke, Zhao Jinhui, Li Weiping, Wang Xuefeng, Chen Peng, Liu Ruizhi, Wen Rui, Song Shuangyu, Liu Yujing, Nai Jianwei, Wang Jiawei, Zhu Qiaonan, Cheng Liwei, Lan Hao, Wu Liqiang, Zhou Bin, Yang Daojun, Tao Xinyong, Guo Lin, Wang Hua.  (2025)  Scalable ultrathin sodium metal anodes.  Nature Synthesis,      [PMID:] [10.1038/s44160-025-00934-0]

9. Haojie Wan, Shaoqing Liu, Ying Zhang, Xue Liu, Rong Zeng, Jiashen Meng, Jean-Jacques Gaumet, Wen Luo, Jianwen Liu.  (2026)  A Novel Sultone-Based Electrolyte Additive for Ultra-Long Cycle Life Sodium-Ion Batteries.  Small,      [PMID:41524704] [10.1002/smll.202514106]

10. Yingxuan Zhao, Chenyang Shen, Qing Liu, Siyuan Zhao, Ruiyao Zhao, Xiangke Guo, Nianhua Xue, Luming Peng, Xuefeng Guo, Yan Zhu, Weiping Ding.  (2026)  Electrocatalytic oxidation or amidation of olefins by asymmetric electrolytes steering carbocation pathways.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC07050C]