Back to Search
1-Bromo-1,1,2,2-Tetrafluoro-2-Iodoethane
CAS: 421-70-5 | C2BrF4I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
421-70-5
Molecular Formula:
C2BrF4I
Molecular Mass:
306.82 g/mol
Names and Synonyms:
1-Bromo-1,1,2,2-Tetrafluoro-2-Iodoethane
Ethane, 1-bromo-1,1,2,2-tetrafluoro-2-iodo-
1-Bromo-1,1,2,2-tetrafluoro-2-iodoethane
2-Iodo-1-bromotetrafluoroethane
1-Bromotetrafluoro-2-iodoethane
1-Bromo-2-iodotetrafluoroethane
1-Iodo-2-bromotetrafluoroethane
1-Bromo-2-iodo-1,1,2,2-tetrafluoroethane
1-Bromo-2-iodoperfluoroethane
Identifiers:
SMILES:
FC(F)(Br)C(F)(F)I
InChI:
InChI=1S/C2BrF4I/c3-1(4,5)2(6,7)8
Key Properties
Boiling Point
80.5-81.0 °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 | 306.82 g/mol | CAS Common Chemistry |
| 306.822 g/mol | RDKit | |
| 305.81642297999997 g/mol | RDKit | |
| Boiling Point | 80.5-81.0 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Br)C(F)(F)I | CAS Common Chemistry |
| InChI | InChI=1S/C2BrF4I/c3-1(4,5)2(6,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=ZYNPYKGTNSXKPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Bromo-1,1,2,2-tetrafluoro-2-iodoethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.0019 | RDKit |
| Molar Refractivity | 32.840999999999994 | RDKit |
