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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 Weight:
134.94 g/mol
Names and Synonyms:
1,2-Dichloro-1,1-Difluoroethane
F 132b
Fron 132b
Ethane, 1,2-dichloro-1,1-difluoro-
R 132b
CFC 132b
HCFC 132b
1,1-Difluoro-1,2-dichloroethane
1,2-Dichloro-1,1-difluoroethane
FC 132b
1,2-Dichloro-2,2-difluoroethane
Identifiers:
SMILES:
FC(F)(Cl)CCl
InChI:
InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 | 134.94 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.950161864 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 | 1 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 | 2.0568 | RDKit |
| molecular_mass | 134.94 g/mol | Legacy Database |
| density | 1.42 g/cm³ | Legacy Database |
| cas-boiling-point | 46.8 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | FC(F)(Cl)CCl None | Legacy Database |
| cas-density | 1.4163 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=SKDFWEPBABSFMG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -101.2 °C None | Legacy Database |
| cas-name | 1,2-Dichloro-1,1-difluoroethane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.519999999999996 | RDKit |
