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Molecule
1,2-Dichloro-1,2-Difluoroethene
CAS: 598-88-9 · C2Cl2F2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 598-88-9
- Molecular Formula
- C2Cl2F2
- Molecular Mass
- 132.92 g/mol
Identifiers
CAS Registry Number
598-88-9
SMILES
FC(Cl)=C(F)Cl
InChI Key
UPVJEODAZWTJKZ-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl2F2/c3-1(5)2(4)6
Names and Synonyms
- 1,2-Dichloro-1,2-Difluoroethene Synonym
- Ethene, 1,2-dichloro-1,2-difluoro- Synonym
- Ethylene, 1,2-dichloro-1,2-difluoro- Synonym
- 1,2-Dichloro-1,2-difluoroethene Synonym
- 1,2-Dichloro-1,2-difluoroethylene Synonym
- 1,2-Dichlorodifluoroethylene Synonym
- 1,2-Dichlorodifluoroethene Synonym
- 1,2-Difluoro-1,2-dichloroethene Synonym
- 1,2-Difluoro-1,2-dichloroethylene Synonym
- 1,2-Difluorodichloroethylene Synonym
- CFC 1112 Synonym
- CFO 1112 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.92 g/mol | CAS Common Chemistry |
| 132.924 g/mol | RDKit | |
| 132.918 g/mol | chempirical lib | |
| Boiling Point | 21.1 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)=C(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2Cl2F2/c3-1(5)2(4)6 | CAS Common Chemistry |
| InChI Key | InChIKey=UPVJEODAZWTJKZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -130.5 °C | CAS Common Chemistry |
| Name | 1,2-Dichloro-1,2-difluoroethene | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5296000000000003 | RDKit |
| 2.5296 | RDKit | |
| 2.38 | chempirical lib | |
| Molar Refractivity | 20.948 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 131.9345118 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 132.92 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2Cl2F2.
