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Molecule
1,2-Dibromo-1-Chloro-1,2,2-Trifluoroethane
CAS: 354-51-8 · C2Br2ClF3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 354-51-8
- Molecular Formula
- C2Br2ClF3
- Molecular Mass
- 276.28 g/mol
Identifiers
CAS Registry Number
354-51-8
SMILES
FC(F)(Br)C(F)(Cl)Br
InChI Key
OVZATIUQXBLIQT-UHFFFAOYSA-N
InChI
InChI=1S/C2Br2ClF3/c3-1(5,6)2(4,7)8
Names and Synonyms
- 1,2-Dibromo-1-Chloro-1,2,2-Trifluoroethane Synonym
- Ethane, 1,2-dibromo-1-chloro-1,2,2-trifluoro- Synonym
- 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane Synonym
- Freon 113B2 Synonym
- 1,2-Dibromotrifluorochloroethane Synonym
- 1,2-Dibromochlorotrifluoroethane Synonym
- 1,2-Dibromo-2-chloro-1,1,2-trifluoroethane Synonym
- 1,2-Dibromo-1-chlorotrifluoroethane Synonym
- 2-Chloro-1,2-dibromo-1,1,2-trifluoroethane Synonym
- NSC 379421 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.28 g/mol | CAS Common Chemistry |
| 276.277 g/mol | RDKit | |
| 276.274 g/mol | chempirical lib | |
| Density | 2.23 g/cm³ | CAS Common Chemistry |
| 2.2318 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 93 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Br)C(F)(Cl)Br | CAS Common Chemistry |
| InChI | InChI=1S/C2Br2ClF3/c3-1(5,6)2(4,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=OVZATIUQXBLIQT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50 °C | CAS Common Chemistry |
| Name | 1,2-Dibromo-1-chloro-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 | 3.2311000000000005 | RDKit |
| 3.2311 | RDKit | |
| Molar Refractivity | 32.492999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 273.80073654 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 = 276.28 g/mol; density = 2.230 g/mL. Edit any field — others recompute live.
