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Chemical substance record

Sodium hexafluorophosphate

21324-39-0F6P.Na167.952 g/mol
Salt and Compound WithChEBI source record

An inorganic sodium salt having hexafluorophosphate(1−) as the counterion. It is an electrolyte used in sodium-ion batteries. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number21324-39-0ChEBI ↗
Molecular formulaF6P.NaChEBI ↗
Molar mass167.952 g/molChEBI ↗
Monoisotopic mass167.95395 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:172377ChEBI ↗

Cross-source molecular data

PubChem
Molar mass167.9539502 g/molPubChem ↗
Exact mass167.95395025 DaPubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
sodium hexafluorophosphate
sodium hexafluorophosphate
KMADQUOCJBLXRP-UHFFFAOYSA-N
F[P-](F)(F)(F)(F)F.[Na+]
InChI=1S/F6P.Na/c1-7(2,3,4,5)6;/q-1;+1

Classification & relationships

ChEBI ontology

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00595408 mol

Uses 167.952 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
F
Fluorine · 6 atoms
67.87%
P
Phosphorus · 1 atom
18.44%
Na
Sodium · 1 atom
13.69%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
The correct space group of NaPF6 x H2O. ↗Acta crystallographica. Section C, Crystal structure communications · 2003 Sep · PMID 12944637

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:172377

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 5147921 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.