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1,2,2-Trichloro-1,1-Difluoroethane
CAS: 354-21-2 | C2HCl3F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
354-21-2
Molecular Formula:
C2HCl3F2
Molecular Mass:
169.39 g/mol
Names and Synonyms:
1,2,2-Trichloro-1,1-Difluoroethane
Ethane, 1,2,2-trichloro-1,1-difluoro-
1,2,2-Trichloro-1,1-difluoroethane
Frigen 122
1,1-Difluoro-1,2,2-trichloroethane
1,1,2-Trichloro-2,2-difluoroethane
2,2-Difluoro-1,1,2-trichloroethane
R 122
Freon 122
F 122
HCFC 122
FC 122
F 122 (halocarbon)
R 122 (halocarbon)
Khladon 122
Identifiers:
SMILES:
FC(F)(Cl)C(Cl)Cl
InChI:
InChI=1S/C2HCl3F2/c3-1(4)2(5,6)7/h1H
Key Properties
Boiling Point
71.9 °C
CAS Common Chemistry
Density
1.54 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 | 169.39 g/mol | CAS Common Chemistry |
| 169.38500000000002 g/mol | RDKit | |
| 167.911189512 g/mol | RDKit | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.5447 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 71.9 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Cl)C(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2HCl3F2/c3-1(4)2(5,6)7/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=FQAMAOOEZDRHHB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2,2-Trichloro-1,1-difluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 2.6216999999999997 | RDKit |
| Molar Refractivity | 26.294 | RDKit |
