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2-Bromo-1,1-Difluoroethene
CAS: 359-08-0 | C2HBrF2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
359-08-0
Molecular Formula:
C2HBrF2
Molecular Mass:
142.93 g/mol
Names and Synonyms:
2-Bromo-1,1-Difluoroethene
2-Bromo-1,1-difluoroethene
Ethylene, 2-bromo-1,1-difluoro-
1,1-Difluoro-2-bromoethylene
1-Bromo-2,2-difluoroethene
2-Bromo-1,1-difluoroethylene
1-Bromo-2,2-difluoroethylene
R 1122B1
2,2-Difluoro-1-bromoethylene
1,1-Difluoro-2-bromoethene
Ethene, 2-bromo-1,1-difluoro-
Identifiers:
SMILES:
FC(F)=CBr
InChI:
InChI=1S/C2HBrF2/c3-1-2(4)5/h1H
Key Properties
Boiling Point
6.1 °C
CAS Common Chemistry
Density
1.82 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 | 142.93 g/mol | CAS Common Chemistry |
| 141.922968572 g/mol | RDKit | |
| Density | 1.82 g/cm³ | CAS Common Chemistry |
| 1.8175 g/cm3 @ Temp: 0.5 °C | CAS Common Chemistry | |
| Boiling Point | 6.1 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=CBr | CAS Common Chemistry |
| InChI | InChI=1S/C2HBrF2/c3-1-2(4)5/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=QZGNGBWAMYFUST-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Bromo-1,1-difluoroethene | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 2.1192 | RDKit |
| Molar Refractivity | 19.226 | RDKit |
