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1,1-Dibromo-1,2,2,2-Tetrafluoroethane
CAS: 27336-23-8 | C2Br2F4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27336-23-8
Molecular Formula:
C2Br2F4
Molecular Mass:
259.82 g/mol
Names and Synonyms:
1,1-Dibromo-1,2,2,2-Tetrafluoroethane
Ethane, 1,1-dibromo-1,2,2,2-tetrafluoro-
Ethane, 1,1-dibromotetrafluoro-
1,1-Dibromo-1,2,2,2-tetrafluoroethane
1,1-Dibromotetrafluoroethane
1,1,1,2-Tetrafluoro-2,2-dibromoethane
Identifiers:
SMILES:
FC(F)(F)C(F)(Br)Br
InChI:
InChI=1S/C2Br2F4/c3-1(4,5)2(6,7)8
Key Properties
Boiling Point
47.5 °C
CAS Common Chemistry
Melting Point
-111.7 °C
CAS Common Chemistry
Density
2.75 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 | 259.82 g/mol | CAS Common Chemistry |
| 259.822 g/mol | RDKit | |
| 257.83028708 g/mol | RDKit | |
| Density | 2.75 g/cm³ | CAS Common Chemistry |
| 2.75 g/cm3 @ Temp: -192 °C | CAS Common Chemistry | |
| Boiling Point | 47.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/C2Br2F4/c3-1(4,5)2(6,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=JLGADZLAECENGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -111.7 °C | CAS Common Chemistry |
| Name | 1,1-Dibromo-1,2,2,2-tetrafluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.9618 | RDKit |
| Molar Refractivity | 27.747999999999998 | RDKit |
