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Molecule
1,2,2-Trichloro-1,1-Difluoroethane
CAS: 354-21-2 · C2HCl3F2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 354-21-2
- Molecular Formula
- C2HCl3F2
- Molecular Mass
- 169.39 g/mol
Identifiers
CAS Registry Number
354-21-2
SMILES
FC(F)(Cl)C(Cl)Cl
InChI Key
FQAMAOOEZDRHHB-UHFFFAOYSA-N
InChI
InChI=1S/C2HCl3F2/c3-1(4)2(5,6)7/h1H
Names and Synonyms
- 1,2,2-Trichloro-1,1-Difluoroethane Synonym
- Ethane, 1,2,2-trichloro-1,1-difluoro- Synonym
- 1,2,2-Trichloro-1,1-difluoroethane Synonym
- Frigen 122 Synonym
- 1,1-Difluoro-1,2,2-trichloroethane Synonym
- 1,1,2-Trichloro-2,2-difluoroethane Synonym
- 2,2-Difluoro-1,1,2-trichloroethane Synonym
- R 122 Synonym
- Freon 122 Synonym
- F 122 Synonym
- HCFC 122 Synonym
- FC 122 Synonym
- F 122 (halocarbon) Synonym
- R 122 (halocarbon) Synonym
- Khladon 122 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.39 g/mol | CAS Common Chemistry |
| 169.38500000000002 g/mol | RDKit | |
| 169.385 g/mol | RDKit | |
| 169.376 g/mol | chempirical lib | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.5447 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 71.9 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Cl)C(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2HCl3F2/c3-1(4)2(5,6)7/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=FQAMAOOEZDRHHB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2,2-Trichloro-1,1-difluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 2.6216999999999997 | RDKit |
| 2.6217 | RDKit | |
| Molar Refractivity | 26.294 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 167.911189512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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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MW = 169.39 g/mol; density = 1.540 g/mL. Edit any field — others recompute live.
