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Triflic Acid
CAS: 1493-13-6 | CHF3O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1493-13-6
Molecular Formula:
CHF3O3S
Molecular Mass:
150.08 g/mol
Names and Synonyms:
Triflic Acid
Methanesulfonic acid, 1,1,1-trifluoro-
Methanesulfonic acid, trifluoro-
1,1,1-Trifluoromethanesulfonic acid
Perfluoromethanesulfonic acid
Triflic acid
Trifluoromethanesulfonic acid
Trifluoromethylsulfonic acid
Fluorad FC 24
1,1,1-Trifluoro-1-methanesulfonic acid
Identifiers:
SMILES:
O=S(=O)(O)C(F)(F)F
InChI:
InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
Key Properties
Boiling Point
166 °C
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Density
1.69 g/cm³
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 | 150.08 g/mol | CAS Common Chemistry |
| 150.07699999999997 g/mol | RDKit | |
| 149.959849552 g/mol | RDKit | |
| Density | 1.69 g/cm³ | CAS Common Chemistry |
| 1.69 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triflic_acid | CAS Common Chemistry |
| Boiling Point | 166 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=ITMCEJHCFYSIIV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Trifluoromethanesulfonic acid | CAS Common Chemistry |
| Triflic acid | CAS Common Chemistry | |
| Heavy Atom Count | 8 | 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 |
