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Molecule
2-Bromo-1,1-Difluoroethene
CAS: 359-08-0 · C2HBrF2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 359-08-0
- Molecular Formula
- C2HBrF2
- Molecular Mass
- 142.93 g/mol
Identifiers
CAS Registry Number
359-08-0
SMILES
FC(F)=CBr
InChI Key
QZGNGBWAMYFUST-UHFFFAOYSA-N
InChI
InChI=1S/C2HBrF2/c3-1-2(4)5/h1H
Names and Synonyms
- 2-Bromo-1,1-Difluoroethene Synonym
- 2-Bromo-1,1-difluoroethene Synonym
- Ethylene, 2-bromo-1,1-difluoro- Synonym
- 1,1-Difluoro-2-bromoethylene Synonym
- 1-Bromo-2,2-difluoroethene Synonym
- 2-Bromo-1,1-difluoroethylene Synonym
- 1-Bromo-2,2-difluoroethylene Synonym
- R 1122B1 Synonym
- 2,2-Difluoro-1-bromoethylene Synonym
- 1,1-Difluoro-2-bromoethene Synonym
- Ethene, 2-bromo-1,1-difluoro- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.93 g/mol | CAS Common Chemistry |
| Density | 1.82 g/cm³ | CAS Common Chemistry |
| 1.8175 g/cm3 @ 0.5 °C | CAS Common Chemistry | |
| Boiling Point | 6.1 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=CBr | CAS Common Chemistry |
| InChI | InChI=1S/C2HBrF2/c3-1-2(4)5/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=QZGNGBWAMYFUST-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Bromo-1,1-difluoroethene | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 2.1192 | RDKit |
| 2.01 | chempirical lib | |
| Molar Refractivity | 19.226 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 141.922968572 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
External Resources
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MW = 142.93 g/mol; density = 1.820 g/mL. Edit any field — others recompute live.
