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Molecule
1,2-Dibromo-1,1-Difluoroethane
CAS: 75-82-1 · C2H2Br2F2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75-82-1
- Molecular Formula
- C2H2Br2F2
- Molecular Mass
- 223.84 g/mol
Identifiers
CAS Registry Number
75-82-1
SMILES
FC(F)(Br)CBr
InChI Key
DPOZWTRVXPUOQW-UHFFFAOYSA-N
InChI
InChI=1S/C2H2Br2F2/c3-1-2(4,5)6/h1H2
Names and Synonyms
- 1,2-Dibromo-1,1-Difluoroethane Systematic Name
- Ethane, 1,2-dibromo-1,1-difluoro- Synonym
- 1,2-Dibromo-1,1-difluoroethane Synonym
- Genetron 132b-B2 Synonym
- 1,1-Difluoro-1,2-dibromoethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.84 g/mol | CAS Common Chemistry |
| 223.84199999999998 g/mol | RDKit | |
| 223.842 g/mol | RDKit | |
| Density | 2.22 g/cm³ | CAS Common Chemistry |
| 2.2238 g/cm3 @ 20.0 °C | CAS Common Chemistry | |
| Boiling Point | 92.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Br)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C2H2Br2F2/c3-1-2(4,5)6/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DPOZWTRVXPUOQW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -61.3 °C | CAS Common Chemistry |
| Name | 1,2-Dibromo-1,1-difluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 2.3690000000000007 | RDKit |
| 2.369 | RDKit | |
| Molar Refractivity | 27.667999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 221.849130704 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 223.84 g/mol; density = 2.220 g/mL. Edit any field — others recompute live.
