Back to Search
Molecule
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
Identifiers
CAS Registry Number
1493-13-6
SMILES
O=S(=O)(O)C(F)(F)F
InChI Key
ITMCEJHCFYSIIV-UHFFFAOYSA-N
InChI
InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
Names and Synonyms
- Triflic Acid Common Name
- Methanesulfonic acid, 1,1,1-trifluoro- Synonym
- Methanesulfonic acid, trifluoro- Synonym
- 1,1,1-Trifluoromethanesulfonic acid Synonym
- Perfluoromethanesulfonic acid Synonym
- Triflic acid Synonym
- Trifluoromethanesulfonic acid Synonym
- Trifluoromethylsulfonic acid Synonym
- Fluorad FC 24 Synonym
- 1,1,1-Trifluoro-1-methanesulfonic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.08 g/mol | CAS Common Chemistry |
| 150.07699999999997 g/mol | RDKit | |
| 150.077 g/mol | RDKit | |
| 150.07 g/mol | chempirical lib | |
| 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 |
| 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 |
| 54.37 Ų | RDKit | |
| LogP | 0.3940000000000002 | RDKit |
| 0.394 | RDKit | |
| Molar Refractivity | 17.603600000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 149.959849552 g/mol | RDKit |
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
Convert
Quick conversion
MW = 150.08 g/mol; density = 1.690 g/mL. Edit any field — others recompute live.
