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Molecule
1-Bromo-2-Chloro-1,1,2,2-Tetrafluoroethane
CAS: 354-53-0 · C2BrClF4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 354-53-0
- Molecular Formula
- C2BrClF4
- Molecular Mass
- 215.37 g/mol
Identifiers
CAS Registry Number
354-53-0
SMILES
FC(F)(Cl)C(F)(F)Br
InChI Key
SXIPFAJOOHZHIQ-UHFFFAOYSA-N
InChI
InChI=1S/C2BrClF4/c3-1(5,6)2(4,7)8
Names and Synonyms
- 1-Bromo-2-Chloro-1,1,2,2-Tetrafluoroethane Synonym
- Ethane, 1-bromo-2-chloro-1,1,2,2-tetrafluoro- Synonym
- Ethane, 1-bromo-2-chlorotetrafluoro- Synonym
- 1-Bromo-2-chloro-1,1,2,2-tetrafluoroethane Synonym
- 1-Bromo-2-chlorotetrafluoroethane Synonym
- R 114B1 Synonym
- F 114B1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.37 g/mol | CAS Common Chemistry |
| 215.371 g/mol | RDKit | |
| 215.368 g/mol | chempirical lib | |
| Canonical SMILES | FC(F)(Cl)C(F)(F)Br | CAS Common Chemistry |
| InChI | InChI=1S/C2BrClF4/c3-1(5,6)2(4,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=SXIPFAJOOHZHIQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Bromo-2-chloro-1,1,2,2-tetrafluoroethane | 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 | 2.8057 | RDKit |
| Molar Refractivity | 24.674 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 213.88080266 g/mol | RDKit |
| Boiling Point | 82 °C @ 195 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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 = 215.37 g/mol. Edit any field — others recompute live.
