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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 Mass:
132.92 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
Key Properties
Boiling Point
21.1 °C
CAS Common Chemistry
Melting Point
-130.5 °C
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 | 132.92 g/mol | CAS Common Chemistry |
| 132.924 g/mol | RDKit | |
| 131.9345118 g/mol | RDKit | |
| Boiling Point | 21.1 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)=C(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2Cl2F2/c3-1(5)2(4)6 | CAS Common Chemistry |
| InChI Key | InChIKey=UPVJEODAZWTJKZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -130.5 °C | CAS Common Chemistry |
| Name | 1,2-Dichloro-1,2-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 | 2.5296000000000003 | RDKit |
| Molar Refractivity | 20.948 | RDKit |
