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1,2-Dichloro-1,1,2-Trifluoroethane
CAS: 354-23-4 | C2HCl2F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
354-23-4
Molecular Formula:
C2HCl2F3
Molecular Mass:
152.93 g/mol
Names and Synonyms:
1,2-Dichloro-1,1,2-Trifluoroethane
Ethane, 1,2-dichloro-1,1,2-trifluoro-
1,2-Dichloro-1,1,2-trifluoroethane
R 123a
CFC 123a
1,2-Dichloro-1,2,2-trifluoroethane
HCFC 123a
F 123a
1,1,2-Trifluoro-1,2-dichloroethane
1,2-Dichlorotrifluoroethane
Identifiers:
SMILES:
FC(Cl)C(F)(F)Cl
InChI:
InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H
Key Properties
Boiling Point
28 °C
CAS Common Chemistry
Melting Point
-78 °C
CAS Common Chemistry
Density
1.50 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 | 152.93 g/mol | CAS Common Chemistry |
| 151.940740052 g/mol | RDKit | |
| Density | 1.50 g/cm³ | CAS Common Chemistry |
| 1.496 g/cm3 @ Temp: 10 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Dichloro-1,1,2-trifluoroethane | CAS Common Chemistry |
| Boiling Point | 28 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)C(F)(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=YMRMDGSNYHCUCL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -78 °C | CAS Common Chemistry |
| Name | 1,2-Dichloro-1,1,2-trifluoroethane | 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 | 2.3524000000000003 | RDKit |
| Molar Refractivity | 21.549 | RDKit |
