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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 Weight:
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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 152.93 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.940740052 g/mol | RDKit |
| Heavy | Heavy Atom Count | 7 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | 2.3524000000000003 | RDKit |
| molecular_mass | 152.93 g/mol | Legacy Database | |
| density | 1.50 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/1,2-Dichloro-1,1,2-trifluoroethane | Legacy Database | |
| cas-boiling-point | 28 °C | Legacy Database | |
| cas-canonical-smile | FC(Cl)C(F)(F)Cl | Legacy Database | |
| cas-density | 1.496 g/cm3 @ Temp: 10 °C | Legacy Database | |
| cas-inchi | InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H | Legacy Database | |
| cas-inchi-key | InChIKey=YMRMDGSNYHCUCL-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -78 °C | Legacy Database | |
| cas-name | 1,2-Dichloro-1,1,2-trifluoroethane | Legacy Database | |
| wikipedia-name | 1,2-Dichloro-1,1,2-trifluoroethane | Legacy Database | |
| Molar | Molar Refractivity | 21.549 | RDKit |
