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1,1,2-Trichloro-1,2,2-Trifluoroethane
CAS: 76-13-1 | C2Cl3F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-13-1
Molecular Formula:
C2Cl3F3
Molecular Mass:
187.37 g/mol
Names and Synonyms:
1,1,2-Trichloro-1,2,2-Trifluoroethane
Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
1,1,2-Trichloro-1,2,2-trifluoroethane
Arklone P
Freon TF
Freon 113
Genetron 113
1,1,2-Trifluorotrichloroethane
1,1,2-Trifluoro-1,2,2-trichloroethane
F 113
Fluorocarbon 113
1,1,2-Trichlorotrifluoroethane
FC 113
R 113 (halocarbon)
Forane 113
Frigen 113TR
Frigen 113TR-T
Frigen 113TR-N
1,2,2-Trichlorotrifluoroethane
Freon 113TR-T
Frigen 113
Frigen 113A
Khladon 113
Daiflon S 3
Isceon 113
Refrigerant R 113
R 113
Ledon 113
Asahifron 113
Refrigerant 113
CFC 113
Fronsolve 113
FKW 113
Daiflon 113
Fron 113
P 113
Fridohna
Fronsolve AD 9
Freon TS
Delifrene 113
Delifrene LS
F 113 (refrigerant)
Arcton 113
Halon 113
Chlorofluorocarbon 113
Hladon 113
A 113
Identifiers:
SMILES:
FC(F)(Cl)C(F)(Cl)Cl
InChI:
InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
Key Properties
Boiling Point
47.7 °C
CAS Common Chemistry
Melting Point
-35 °C
CAS Common Chemistry
Density
1.56 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 | 187.37 g/mol | CAS Common Chemistry |
| 187.37500000000003 g/mol | RDKit | |
| 185.9017677 g/mol | RDKit | |
| Density | 1.56 g/cm³ | CAS Common Chemistry |
| 1.5635 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane | CAS Common Chemistry |
| Boiling Point | 47.7 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Cl)C(F)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=AJDIZQLSFPQPEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35 °C | CAS Common Chemistry |
| Name | CFC 113 | CAS Common Chemistry |
| 1,1,2-Trichloro-1,2,2-trifluoroethane | CAS Common Chemistry | |
| Heavy Atom Count | 8 | 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 | 2.9189 | RDKit |
| Molar Refractivity | 26.345 | RDKit |
