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1,1-Dibromo-2,2-Difluoroethene
CAS: 430-85-3 | C2Br2F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
430-85-3
Molecular Formula:
C2Br2F2
Molecular Mass:
221.83 g/mol
Names and Synonyms:
1,1-Dibromo-2,2-Difluoroethene
Ethene, 1,1-dibromo-2,2-difluoro-
Ethylene, 1,1-dibromo-2,2-difluoro-
1,1-Dibromo-2,2-difluoroethene
1,1-Dibromo-2,2-difluoroethylene
1,1-Dibromodifluoroethene
1,1-Dibromodifluoroethylene
Identifiers:
SMILES:
FC(F)=C(Br)Br
InChI:
InChI=1S/C2Br2F2/c3-1(4)2(5)6
Key Properties
Boiling Point
66.2 °C @ Press: 700 Torr
CAS Common Chemistry
Density
2.29 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 | 221.83 g/mol | CAS Common Chemistry |
| 221.826 g/mol | RDKit | |
| 219.83348064 g/mol | RDKit | |
| Density | 2.29 g/cm³ | CAS Common Chemistry |
| 2.29 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 66.2 °C @ Press: 700 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/C2Br2F2/c3-1(4)2(5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=VTFPVQZQUFXLFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dibromo-2,2-difluoroethene | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 2.8418 | RDKit |
| Molar Refractivity | 27.096 | RDKit |
