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Methanesulfonic Acid, 1,1,1-Trifluoro-, Samarium(3+) Salt (3:1)
CAS: 52093-28-4 | CHF3O3SSm
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52093-28-4
Molecular Formula:
CHF3O3SSm
Molecular Mass:
300.44 g/mol
Names and Synonyms:
Methanesulfonic Acid, 1,1,1-Trifluoro-, Samarium(3+) Salt (3:1)
Methanesulfonic acid, 1,1,1-trifluoro-, samarium(3+) salt (3:1)
Methanesulfonic acid, trifluoro-, samarium(3+) salt
Samarium(3+) trifluoromethanesulfonate
Samarium tris(trifluoromethanesulfonate)
Samarium(III) trifluoromethanesulfonate
Samarium triflate
Samarium(3+) triflate
Samarium tris(triflate)
Samarium(III) triflate
Trifluoromethanesulfonic acid samarium(3+) salt
Samarium trifluoromethanesulfonate
Identifiers:
SMILES:
O=S(=O)(O)C(F)(F)F.[Sm]
InChI:
InChI=1S/CHF3O3S.Sm/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
Key Properties
Melting Point
6 °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 | 300.44 g/mol | CAS Common Chemistry |
| 300.437 g/mol | RDKit | |
| 301.879581952 g/mol | RDKit | |
| Canonical SMILES | [Sm].O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S.Sm/c2-1(3,4)8(5,6)7;/h(H,5,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=AXXFVUWEFGKYBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6 °C | CAS Common Chemistry |
| Name | Methanesulfonic acid, 1,1,1-trifluoro-, samarium(3+) salt (3:1) | 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 | 0.3940000000000002 | RDKit |
| Molar Refractivity | 17.603600000000004 | RDKit |
