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Vinyl Bromide
CAS: 593-60-2 | C2H3Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
593-60-2
Molecular Formula:
C2H3Br
Molecular Weight:
106.94999999999999 g/mol
Names and Synonyms:
Vinyl Bromide
Ethene, bromo-
Ethylene, bromo-
Bromoethene
Vinyl bromide
Bromoethylene
R 1140B1
Identifiers:
SMILES:
C=CBr
InChI:
InChI=1S/C2H3Br/c1-2-3/h2H,1H2
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 106.94999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 105.941812196 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.5248 | RDKit |
| molecular_mass | 106.95 g/mol | Legacy Database |
| density | 1.49 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Vinyl_bromide None | Legacy Database |
| cas-boiling-point | 15.8 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | BrC=C None | Legacy Database |
| cas-density | 1.4933 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H3Br/c1-2-3/h2H,1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=INLLPKCGLOXCIV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -137.8 °C None | Legacy Database |
| cas-name | Bromoethene None | Legacy Database |
| wikipedia-name | Vinyl bromide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.123999999999995 | RDKit |
