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Molecule
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
Identifiers
CAS Registry Number
76-13-1
SMILES
FC(F)(Cl)C(F)(Cl)Cl
InChI Key
AJDIZQLSFPQPEY-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
Names and Synonyms
- 1,1,2-Trichloro-1,2,2-Trifluoroethane Systematic Name
- Ethane, 1,1,2-trichloro-1,2,2-trifluoro- Synonym
- 1,1,2-Trichloro-1,2,2-trifluoroethane Synonym
- Arklone P Synonym
- Freon TF Synonym
- Freon 113 Synonym
- Genetron 113 Synonym
- 1,1,2-Trifluorotrichloroethane Synonym
- 1,1,2-Trifluoro-1,2,2-trichloroethane Synonym
- F 113 Synonym
- Fluorocarbon 113 Synonym
- 1,1,2-Trichlorotrifluoroethane Synonym
- FC 113 Synonym
- R 113 (halocarbon) Synonym
- Forane 113 Synonym
- Frigen 113TR Synonym
- Frigen 113TR-T Synonym
- Frigen 113TR-N Synonym
- 1,2,2-Trichlorotrifluoroethane Synonym
- Freon 113TR-T Synonym
- Frigen 113 Synonym
- Frigen 113A Synonym
- Khladon 113 Synonym
- Daiflon S 3 Synonym
- Isceon 113 Synonym
- Refrigerant R 113 Synonym
- R 113 Synonym
- Ledon 113 Synonym
- Asahifron 113 Synonym
- Refrigerant 113 Synonym
- CFC 113 Synonym
- Fronsolve 113 Synonym
- FKW 113 Synonym
- Daiflon 113 Synonym
- Fron 113 Synonym
- P 113 Synonym
- Fridohna Synonym
- Fronsolve AD 9 Synonym
- Freon TS Synonym
- Delifrene 113 Synonym
- Delifrene LS Synonym
- F 113 (refrigerant) Synonym
- Arcton 113 Synonym
- Halon 113 Synonym
- Chlorofluorocarbon 113 Synonym
- Hladon 113 Synonym
- A 113 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.37 g/mol | CAS Common Chemistry |
| 187.37500000000003 g/mol | RDKit | |
| 187.375 g/mol | RDKit | |
| 187.366 g/mol | chempirical lib | |
| Density | 1.56 g/cm³ | CAS Common Chemistry |
| 1.5635 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 185.9017677 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 187.37 g/mol; density = 1.560 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2Cl3F3.
