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Molecule
Tetrachloro-1,2-Difluoroethane
CAS: 76-12-0 · C2Cl4F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 76-12-0
- Molecular Formula
- C2Cl4F2
- Molecular Mass
- 203.83 g/mol
Identifiers
CAS Registry Number
76-12-0
SMILES
FC(Cl)(Cl)C(F)(Cl)Cl
InChI Key
UGCSPKPEHQEOSR-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8
Names and Synonyms
- Tetrachloro-1,2-Difluoroethane Systematic Name
- Ethane, 1,1,2,2-tetrachloro-1,2-difluoro- Synonym
- 1,1,2,2-Tetrachloro-1,2-difluoroethane Synonym
- F 112 Synonym
- Freon 112 Synonym
- 1,2-Difluoro-1,1,2,2-tetrachloroethane Synonym
- Genetron 112 Synonym
- 1,1,2,2-Tetrachlorodifluoroethane Synonym
- 1,2-Difluorotetrachloroethane Synonym
- sym-Tetrachlorodifluoroethane Synonym
- Ucon 112 Synonym
- Tetrachloro-1,2-difluoroethane Synonym
- FC 112 Synonym
- Daiflon S 2 Synonym
- Daiflon 112 Synonym
- R 112 Synonym
- CFC 112 Synonym
- Fron 112 Synonym
- CFC 122 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.83 g/mol | CAS Common Chemistry |
| 203.818 g/mol | chempirical lib | |
| Density | 1.64 g/cm³ | CAS Common Chemistry |
| 1.6447 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 93 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)(Cl)C(F)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8 | CAS Common Chemistry |
| InChI Key | InChIKey=UGCSPKPEHQEOSR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 26 °C | CAS Common Chemistry |
| Name | Tetrachloro-1,2-difluoroethane | 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 | 3.1882 | RDKit |
| Molar Refractivity | 31.090000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 201.87221716 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
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MW = 203.83 g/mol; density = 1.640 g/mL. Edit any field — others recompute live.
