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2-Chloro-1,1,1-Trifluoroethane
CAS: 75-88-7 | C2H2ClF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-88-7
Molecular Formula:
C2H2ClF3
Molecular Mass:
118.49 g/mol
Names and Synonyms:
2-Chloro-1,1,1-Trifluoroethane
Ethane, 2-chloro-1,1,1-trifluoro-
2-Chloro-1,1,1-trifluoroethane
1,1,1-Trifluoroethyl chloride
Genetron 133a
1-Chloro-2,2,2-trifluoroethane
1,1,1-Trifluoro-2-chloroethane
R 133a
2,2,2-Trifluorochloroethane
FC 133a
Freon 133a
2,2,2-Trifluoroethyl chloride
1,1,1-Trifluorochloroethane
(Chloromethyl)trifluoromethane
HCFC 133a
F 133a
Forane 133a
2,2,2-Trifluoro-1-chloroethane
Identifiers:
SMILES:
FC(F)(F)CCl
InChI:
InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
Key Properties
Boiling Point
6.1 °C
CAS Common Chemistry
Melting Point
-105.3 °C
CAS Common Chemistry
Density
1.39 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 | 118.49 g/mol | CAS Common Chemistry |
| 118.48500000000001 g/mol | RDKit | |
| 117.979712404 g/mol | RDKit | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.389 g/cm3 @ Temp: 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Chloro-1,1,1-trifluoroethane | CAS Common Chemistry |
| Boiling Point | 6.1 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CYXIKYKBLDZZNW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -105.3 °C | CAS Common Chemistry |
| Name | 2-Chloro-1,1,1-trifluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.7874999999999999 | RDKit |
| Molar Refractivity | 16.775 | RDKit |
