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1,2-Dichloro-1,1-Difluoroethane
CAS: 1649-08-7 | C2H2Cl2F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1649-08-7
Molecular Formula:
C2H2Cl2F2
Molecular Mass:
134.94 g/mol
Names and Synonyms:
1,2-Dichloro-1,1-Difluoroethane
Ethane, 1,2-dichloro-1,1-difluoro-
1,2-Dichloro-1,1-difluoroethane
1,1-Difluoro-1,2-dichloroethane
1,2-Dichloro-2,2-difluoroethane
Fron 132b
R 132b
HCFC 132b
FC 132b
CFC 132b
F 132b
Identifiers:
SMILES:
FC(F)(Cl)CCl
InChI:
InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2
Key Properties
Boiling Point
46.8 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-101.2 °C
CAS Common Chemistry
Density
1.42 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 | 134.94 g/mol | CAS Common Chemistry |
| 133.950161864 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.4163 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 46.8 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Cl)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SKDFWEPBABSFMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -101.2 °C | CAS Common Chemistry |
| Name | 1,2-Dichloro-1,1-difluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 2.0568 | RDKit |
| Molar Refractivity | 21.519999999999996 | RDKit |
