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Hexafluorophosphoric Acid
CAS: 16940-81-1 | HF6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16940-81-1
Molecular Formula:
HF6P
Molecular Weight:
145.97000000000003 g/mol
Names and Synonyms:
Hexafluorophosphoric Acid
Hydrogen hexafluorophosphate (HPF6)
Hydrogen hexafluorophosphate(1-)
Phosphate(1-), hexafluoro-, hydrogen
Hydrogen hexafluorophosphate
Hexafluorophosphoric acid
Phosphate(1-), hexafluoro-, hydrogen (1:1)
Identifiers:
SMILES:
F[P-](F)(F)(F)(F)F.[H+]
InChI:
InChI=1S/F6P/c1-7(2,3,4,5)6/q-1/p+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 |
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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
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 145.97 g/mol | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Hexafluorophosphoric_acid None | Legacy Database |
cas-canonical-smile | [H+].[F-][P+5]([F-])([F-])([F-])([F-])[F-] None | Legacy Database |
cas-inchi | InChI=1S/F6P/c1-7(2,3,4,5)6/q-1/p+1 None | Legacy Database |
cas-inchi-key | InChIKey=LJQLCJWAZJINEB-UHFFFAOYSA-O None | Legacy Database |
cas-melting-point | 128-130 °C (decomp) None | Legacy Database |
cas-name | Hexafluorophosphoric acid None | Legacy Database |
wikipedia-name | Hexafluorophosphoric acid None | Legacy Database |
LogP | 3.4948999999999995 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 145.97000000000003 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 145.972005982 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 7 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 0 count | RDKit |
Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 0 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 14.680000000000003 | RDKit |