Back to Search
1,2-Dibromo-1,1-Difluoroethane
CAS: 75-82-1 | C2H2Br2F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-82-1
Molecular Formula:
C2H2Br2F2
Molecular Mass:
223.84 g/mol
Names and Synonyms:
1,2-Dibromo-1,1-Difluoroethane
Ethane, 1,2-dibromo-1,1-difluoro-
1,2-Dibromo-1,1-difluoroethane
Genetron 132b-B2
1,1-Difluoro-1,2-dibromoethane
Identifiers:
SMILES:
FC(F)(Br)CBr
InChI:
InChI=1S/C2H2Br2F2/c3-1-2(4,5)6/h1H2
Key Properties
Boiling Point
92.5 °C
CAS Common Chemistry
Melting Point
-61.3 °C
CAS Common Chemistry
Density
2.22 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 | 223.84 g/mol | CAS Common Chemistry |
| 223.84199999999998 g/mol | RDKit | |
| 221.849130704 g/mol | RDKit | |
| Density | 2.22 g/cm³ | CAS Common Chemistry |
| 2.2238 g/cm3 @ Temp: 20.0 °C | CAS Common Chemistry | |
| Boiling Point | 92.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Br)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C2H2Br2F2/c3-1-2(4,5)6/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DPOZWTRVXPUOQW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -61.3 °C | CAS Common Chemistry |
| Name | 1,2-Dibromo-1,1-difluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 2.3690000000000007 | RDKit |
| Molar Refractivity | 27.667999999999996 | RDKit |
