Lithium Hexafluorophosphate, an inorganic compound with the chemical formula LiPF6, is a white crystalline powder, easily soluble in water, soluble in low concentrations of methanol, ethanol, acetone, carbonate and other organic solvents, mainly used as an electrolyte material for lithium-ion batteries.

Chemical formula LiPF6

Molecular weight 151.905

CAS No. 21324-40-3

EINECS number 244-334-7

Melting point 200 °C (decomposition)

Water solubility soluble density 1.50 g/cm³

Appearance white crystalline powder Safety description S26; S28A; S36/37/39; S45

Hazard symbol T Hazard description R22; R24; R34

Basic information

Chemical formula: LiPF6

Molecular weight: 151.905

CAS No.: 21324-40-3

EINECS number: 244-334-7

Physical and chemical properties

Density: 1.50g/cm3

Melting point: 200°C (decomposition)

Appearance: white crystalline powder

Solubility: soluble in water, soluble in low concentrations of organic solvents such as methanol, ethanol, propanol and carbonate [1] 

Calculation of chemical numbers

Calculated reference value for hydrophobic parameters (XlogP): none

Number of hydrogen bond donors: 0

Number of hydrogen bond acceptors: 7

Number of rotatable chemical bonds: 0

Number of mutually variable isomers: 0

Polar surface area of topological molecules: 0

Number of heavy atoms: 8

Surface charge: 0

Complexity: 67.1

Number of isotopic atoms: 0

Number of definite atomic structure centres: 0

Number of indeterminate atomic structure centres: 0

Number of definite bonding centres: 0

Number of indeterminate bonding centres: 0

Number of covalent bonding units: 2 [1] 

Uses

Mainly used as an electrolyte material for ion batteries.