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Lithium Hexafluorophosphate
CAS: 21324-40-3 | F6LiP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21324-40-3
Molecular Formula:
F6LiP
Molecular Mass:
151.90 g/mol
Names and Synonyms:
Lithium Hexafluorophosphate
Phosphate(1-), hexafluoro-, lithium (1:1)
Phosphate(1-), hexafluoro-, lithium
Lithium hexafluorophosphate
Lithium hexafluorophosphate (LiPF6)
Lithium hexafluorophosphate(1-)
Lithium fluophosphate
Lithium phosphorus fluoride (LiPF6)
LBG 45864
LBC 305-01
Identifiers:
SMILES:
F[P-](F)(F)(F)(F)F.[Li+]
InChI:
InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1
Key Properties
Melting Point
194.29 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.90 g/mol | CAS Common Chemistry |
| 151.90300000000002 g/mol | RDKit | |
| 151.9801855 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_hexafluorophosphate | CAS Common Chemistry |
| Canonical SMILES | [Li+].[F-][P+5]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=AXPLOJNSKRXQPA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194.29 °C (decomp) | CAS Common Chemistry |
| Name | Lithium hexafluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.38639999999999963 | RDKit |
| Molar Refractivity | 13.568000000000003 | RDKit |
