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Tetrachloro-1,2-Difluoroethane
CAS: 76-12-0 | C2Cl4F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-12-0
Molecular Formula:
C2Cl4F2
Molecular Mass:
203.83 g/mol
Names and Synonyms:
Tetrachloro-1,2-Difluoroethane
Ethane, 1,1,2,2-tetrachloro-1,2-difluoro-
1,1,2,2-Tetrachloro-1,2-difluoroethane
F 112
Freon 112
1,2-Difluoro-1,1,2,2-tetrachloroethane
Genetron 112
1,1,2,2-Tetrachlorodifluoroethane
1,2-Difluorotetrachloroethane
sym-Tetrachlorodifluoroethane
Ucon 112
Tetrachloro-1,2-difluoroethane
FC 112
Daiflon S 2
Daiflon 112
R 112
CFC 112
Fron 112
CFC 122
Identifiers:
SMILES:
FC(Cl)(Cl)C(F)(Cl)Cl
InChI:
InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8
Key Properties
Boiling Point
93 °C
CAS Common Chemistry
Melting Point
26 °C
CAS Common Chemistry
Density
1.64 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 | 203.83 g/mol | CAS Common Chemistry |
| 201.87221716 g/mol | RDKit | |
| Density | 1.64 g/cm³ | CAS Common Chemistry |
| 1.6447 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 93 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)(Cl)C(F)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8 | CAS Common Chemistry |
| InChI Key | InChIKey=UGCSPKPEHQEOSR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 26 °C | CAS Common Chemistry |
| Name | Tetrachloro-1,2-difluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 3.1882 | RDKit |
| Molar Refractivity | 31.090000000000003 | RDKit |
