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Molecule
Hexafluorophosphoric Acid
CAS: 16940-81-1 · HF6P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16940-81-1
- Molecular Formula
- HF6P
- Molecular Mass
- 145.97000000000003 g/mol
Identifiers
CAS Registry Number
16940-81-1
SMILES
F[P-](F)(F)(F)(F)F.[H+]
InChI Key
LJQLCJWAZJINEB-UHFFFAOYSA-O
InChI
InChI=1S/F6P/c1-7(2,3,4,5)6/q-1/p+1
Names and Synonyms
- Hexafluorophosphoric Acid Common Name
- Phosphate(1-), hexafluoro-, hydrogen (1:1) Synonym
- Hexafluorophosphoric acid Synonym
- Hydrogen hexafluorophosphate Synonym
- Phosphate(1-), hexafluoro-, hydrogen Synonym
- Hydrogen hexafluorophosphate(1-) Synonym
- Hydrogen hexafluorophosphate (HPF6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 145.97000000000003 g/mol | RDKit |
| 145.972005982 g/mol | RDKit | |
| 145.97 g/mol | RDKit | |
| 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 |
| 3.4949 | RDKit | |
| Molar Refractivity | 14.680000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 145.97 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 145.97 g/mol. Edit any field — others recompute live.
