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Silver Heptafluorobutyrate
CAS: 3794-64-7 | C4HAgF7O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3794-64-7
Molecular Formula:
C4HAgF7O2
Molecular Mass:
321.90 g/mol
Names and Synonyms:
Silver Heptafluorobutyrate
Butanoic acid, heptafluoro-, silver(1+) salt
2,2,3,3,4,4,4-Heptafluorobutyric acid, silver(1+) salt
Silver heptafluorobutanoate
Silver perfluorobutanoate
Silver heptafluorobutyrate
Silver perfluorobutyrate
Silver(I) perfluorobutyrate
Silver(1+) heptafluorobutanoate
Silver(I) heptafluorobutyrate
Silver(1+) heptafluorobutyrate
Silver(I) perfluorobutanoate
Silver(I) heptafluorobutanoate
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, silver(1+) salt (1:1)
Butyric acid, heptafluoro-, silver(1+) salt
Identifiers:
SMILES:
O=C(O)C(F)(F)C(F)(F)C(F)(F)F.[Ag]
InChI:
InChI=1S/C4HF7O2.Ag/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);
Key Properties
Melting Point
292-294 °C
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 | 321.90 g/mol | CAS Common Chemistry |
| 321.904 g/mol | RDKit | |
| 320.89157381200005 g/mol | RDKit | |
| Canonical SMILES | [Ag].O=C(O)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4HF7O2.Ag/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13); | CAS Common Chemistry |
| InChI Key | InChIKey=QARYCMDLEXWYCP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 292-294 °C | CAS Common Chemistry |
| Name | Silver heptafluorobutyrate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9014000000000002 | RDKit |
| Molar Refractivity | 23.584800000000005 | RDKit |
