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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 Weight:
187.37500000000003 g/mol
Names and Synonyms:
1,1,2-Trichloro-1,2,2-Trifluoroethane
A 113
Hladon 113
Chlorofluorocarbon 113
Halon 113
Arcton 113
F 113 (refrigerant)
Delifrene LS
Delifrene 113
Freon TS
Fronsolve AD 9
Fridohna
P 113
Fron 113
Daiflon 113
FKW 113
Fronsolve 113
CFC 113
Refrigerant 113
Asahifron 113
Ledon 113
R 113
Refrigerant R 113
Isceon 113
Daiflon S 3
Khladon 113
Frigen 113A
Frigen 113
Freon 113TR-T
1,2,2-Trichlorotrifluoroethane
Frigen 113TR-N
Frigen 113TR-T
Frigen 113TR
Forane 113
R 113 (halocarbon)
FC 113
1,1,2-Trichlorotrifluoroethane
Fluorocarbon 113
F 113
1,1,2-Trifluoro-1,2,2-trichloroethane
1,1,2-Trifluorotrichloroethane
Genetron 113
Freon 113
Freon TF
Arklone P
1,1,2-Trichloro-1,2,2-trifluoroethane
Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
Identifiers:
SMILES:
FC(F)(Cl)C(F)(Cl)Cl
InChI:
InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 187.37 g/mol | Legacy Database |
| density | 1.56 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane None | Legacy Database |
| cas-boiling-point | 47.7 °C None | Legacy Database |
| cas-canonical-smile | FC(F)(Cl)C(F)(Cl)Cl None | Legacy Database |
| cas-density | 1.5635 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8 None | Legacy Database |
| cas-inchi-key | InChIKey=AJDIZQLSFPQPEY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -35 °C None | Legacy Database |
| cas-name | CFC 113 None | Legacy Database |
| wikipedia-name | 1,1,2-Trichloro-1,2,2-trifluoroethane None | Legacy Database |
| LogP | 2.9189 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 187.37500000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 185.9017677 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.345 | RDKit |
