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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 Weight:
151.90300000000002 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 151.90300000000002 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.9801855 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | 0.38639999999999963 | RDKit |
| molecular_mass | 151.90 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_hexafluorophosphate | Legacy Database | |
| cas-canonical-smile | [Li+].[F-][P+5]([F-])([F-])([F-])([F-])[F-] | Legacy Database | |
| cas-inchi | InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1 | Legacy Database | |
| cas-inchi-key | InChIKey=AXPLOJNSKRXQPA-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 194.29 °C (decomp) | Legacy Database | |
| cas-name | Lithium hexafluorophosphate | Legacy Database | |
| wikipedia-name | Lithium hexafluorophosphate | Legacy Database | |
| Molar | Molar Refractivity | 13.568000000000003 | RDKit |
