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Copper(Ii) Triflate
CAS: 34946-82-2 | CHCuF3O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34946-82-2
Molecular Formula:
CHCuF3O3S
Molecular Mass:
213.62 g/mol
Names and Synonyms:
Copper(Ii) Triflate
Methanesulfonic acid, 1,1,1-trifluoro-, copper(2+) salt (2:1)
Methanesulfonic acid, trifluoro-, copper(2+) salt
Cupric trifluoromethanesulfonate
Copper(II) triflate
Cupric bis(trifluoromethanesulfonate)
Cupric triflate
Cupric trifluoromethylsulfonate
Bis(trifluoromethanesulfonato)copper
Copper ditriflate
Copper bis(trifluoromethanesulfonate)
Trifluoromethanesulfonic acid copper salt (2:1)
Copper(II) trifluoromethanesulfonate
Copper(2+) trifluoromethylsulfonate
Copper(2+) bis(trifluoromethanesulfonate)
Copper(2+) triflate
Trifluoromethanesulfonic acid copper(2+) salt
Identifiers:
SMILES:
O=S(=O)(O)C(F)(F)F.[Cu]
InChI:
InChI=1S/CHF3O3S.Cu/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
Key Properties
Melting Point
>400 °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 | 213.62 g/mol | CAS Common Chemistry |
| 213.62299999999996 g/mol | RDKit | |
| 212.889447052 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(II)_triflate | CAS Common Chemistry |
| Canonical SMILES | [Cu].O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S.Cu/c2-1(3,4)8(5,6)7;/h(H,5,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=GZWXEFRPSWBAGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >400 °C | CAS Common Chemistry |
| Name | Copper(II) triflate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| LogP | 0.3915000000000002 | RDKit |
| Molar Refractivity | 17.603600000000004 | RDKit |
