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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 Mass:
145.97 g/mol
Names and Synonyms:
Hexafluorophosphoric Acid
Phosphate(1-), hexafluoro-, hydrogen (1:1)
Hexafluorophosphoric acid
Hydrogen hexafluorophosphate
Phosphate(1-), hexafluoro-, hydrogen
Hydrogen hexafluorophosphate(1-)
Hydrogen hexafluorophosphate (HPF6)
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
Key Properties
Melting Point
128-130 °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 | 145.97 g/mol | CAS Common Chemistry |
| 145.97000000000003 g/mol | RDKit | |
| 145.972005982 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexafluorophosphoric_acid | CAS Common Chemistry |
| Canonical SMILES | [H+].[F-][P+5]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/F6P/c1-7(2,3,4,5)6/q-1/p+1 | CAS Common Chemistry |
| InChI Key | InChIKey=LJQLCJWAZJINEB-UHFFFAOYSA-O | CAS Common Chemistry |
| Melting Point | 128-130 °C (decomp) | CAS Common Chemistry |
| Name | Hexafluorophosphoric acid | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 3.4948999999999995 | RDKit |
| Molar Refractivity | 14.680000000000003 | RDKit |
