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2-Bromo-1,1-Difluoroethane
CAS: 359-07-9 | C2H3BrF2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
359-07-9
Molecular Formula:
C2H3BrF2
Molecular Mass:
144.95 g/mol
Names and Synonyms:
2-Bromo-1,1-Difluoroethane
Ethane, 2-bromo-1,1-difluoro-
2-Bromo-1,1-difluoroethane
2,2-Difluoroethyl bromide
1-Bromo-2,2-difluoroethane
2,2-Difluoro-1-bromoethane
Identifiers:
SMILES:
FC(F)CBr
InChI:
InChI=1S/C2H3BrF2/c3-1-2(4)5/h2H,1H2
Key Properties
Boiling Point
57.3 °C
CAS Common Chemistry
Melting Point
-75 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.95 g/mol | CAS Common Chemistry |
| 144.946 g/mol | RDKit | |
| 143.938618636 g/mol | RDKit | |
| Boiling Point | 57.3 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C2H3BrF2/c3-1-2(4)5/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JVYROUWXXSWCMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -75 °C | CAS Common Chemistry |
| Name | 2-Bromo-1,1-difluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.6464 | RDKit |
| Molar Refractivity | 19.797999999999995 | RDKit |
