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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 Mass:
106.95 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
Key Properties
Boiling Point
15.8 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-137.8 °C
CAS Common Chemistry
Density
1.49 g/cm³
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 | 106.95 g/mol | CAS Common Chemistry |
| 106.94999999999999 g/mol | RDKit | |
| 105.941812196 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.4933 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinyl_bromide | CAS Common Chemistry |
| Boiling Point | 15.8 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | BrC=C | CAS Common Chemistry |
| InChI | InChI=1S/C2H3Br/c1-2-3/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=INLLPKCGLOXCIV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -137.8 °C | CAS Common Chemistry |
| Name | Bromoethene | CAS Common Chemistry |
| Vinyl bromide | CAS Common Chemistry | |
| Heavy Atom Count | 3 | 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 | 1.5248 | RDKit |
| Molar Refractivity | 19.123999999999995 | RDKit |
