Back to Search
Bistriflimide
CAS: 82113-65-3 | C2HF6NO4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
82113-65-3
Molecular Formula:
C2HF6NO4S2
Molecular Mass:
281.16 g/mol
Names and Synonyms:
Bistriflimide
Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-
1,1,1-Trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
Bis(trifluoromethylsulfonyl)amine
Bis(trifluoromethylsulfonyl)imide
Bis(trifluoromethanesulfonyl)imide
Bis(trifluoromethanesulfonyl)amine
Triflimide
Triflic imide
1,1,1-Trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonimide
Trifluoromethanesulfonimide
Bis(trifluoromethanesulfonyl)amide
Bis(trifluoromethane)sulfonimide
Bis(trifluormethylsulfonyl)imide
1,1,1-Trifluoro-N-trifluoromethanesulfonylmethanesulfonamide
Identifiers:
SMILES:
O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H
Key Properties
Boiling Point
90 °C @ Press: 2 x 10-3 Torr
CAS Common Chemistry
Melting Point
56 °C
CAS Common Chemistry
Density
1.5-1.6 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 | 281.16 g/mol | CAS Common Chemistry |
| 281.1549999999999 g/mol | RDKit | |
| 280.92511883200007 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bistriflimide | CAS Common Chemistry |
| Boiling Point | 90 °C @ Press: 2 x 10-3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| Density | 1.5-1.6 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H | CAS Common Chemistry |
| InChI Key | InChIKey=ZXMGHDIOOHOAAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56 °C | CAS Common Chemistry |
| Name | Bis(trifluoromethanesulfonyl)imide | CAS Common Chemistry |
| Bistriflimide | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.31 Ų | RDKit |
| LogP | 0.2752000000000003 | RDKit |
| Molar Refractivity | 33.0853 | RDKit |
