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1,2-Dichloro-1,2-Difluoroethene
CAS: 598-88-9 | C2Cl2F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
598-88-9
Molecular Formula:
C2Cl2F2
Molecular Weight:
132.924 g/mol
Names and Synonyms:
1,2-Dichloro-1,2-Difluoroethene
Ethene, 1,2-dichloro-1,2-difluoro-
Ethylene, 1,2-dichloro-1,2-difluoro-
1,2-Dichloro-1,2-difluoroethene
1,2-Dichloro-1,2-difluoroethylene
1,2-Dichlorodifluoroethylene
1,2-Dichlorodifluoroethene
1,2-Difluoro-1,2-dichloroethene
1,2-Difluoro-1,2-dichloroethylene
1,2-Difluorodichloroethylene
CFC 1112
CFO 1112
Identifiers:
SMILES:
FC(Cl)=C(F)Cl
InChI:
InChI=1S/C2Cl2F2/c3-1(5)2(4)6
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.924 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.9345118 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.5296000000000003 | RDKit |
| molecular_mass | 132.92 g/mol | Legacy Database |
| cas-boiling-point | 21.1 °C None | Legacy Database |
| cas-canonical-smile | FC(Cl)=C(F)Cl None | Legacy Database |
| cas-inchi | InChI=1S/C2Cl2F2/c3-1(5)2(4)6 None | Legacy Database |
| cas-inchi-key | InChIKey=UPVJEODAZWTJKZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -130.5 °C None | Legacy Database |
| cas-name | 1,2-Dichloro-1,2-difluoroethene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.948 | RDKit |
