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1-Chloro-1,1,2,2-Tetrafluoroethane
CAS: 354-25-6 | C2HClF4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
354-25-6
Molecular Formula:
C2HClF4
Molecular Weight:
136.47500000000002 g/mol
Names and Synonyms:
1-Chloro-1,1,2,2-Tetrafluoroethane
Ethane, 1-chloro-1,1,2,2-tetrafluoro-
1-Chloro-1,1,2,2-tetrafluoroethane
R 124a
HCFC 124a
F 124a
1,1,2,2-Tetrafluorochloroethane
1,1,2,2-Tetrafluoro-1-chloroethane
Monochlorotetrafluoroethane
Identifiers:
SMILES:
FC(F)C(F)(F)Cl
InChI:
InChI=1S/C2HClF4/c3-2(6,7)1(4)5/h1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 136.48 g/mol | Legacy Database |
| density | 1.30 g/cm³ | Legacy Database |
| cas-boiling-point | -10.2 °C None | Legacy Database |
| cas-canonical-smile | FC(F)C(F)(F)Cl None | Legacy Database |
| cas-density | 1.299 g/cm3 @ Temp: 44.7 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2HClF4/c3-2(6,7)1(4)5/h1H None | Legacy Database |
| cas-inchi-key | InChIKey=JQZFYIGAYWLRCC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -117 °C None | Legacy Database |
| cas-name | 1-Chloro-1,1,2,2-tetrafluoroethane None | Legacy Database |
| LogP | 2.0831 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.47500000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.970290592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.804 | RDKit |
