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Bromoethane
CAS: 74-96-4 | C2H5Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-96-4
Molecular Formula:
C2H5Br
Molecular Mass:
108.97 g/mol
Names and Synonyms:
Bromoethane
Ethane, bromo-
Bromoethane
Bromic ether
Hydrobromic ether
Monobromoethane
Ethyl bromide
F 160B1
NSC 8824
2-Bromoethane
Identifiers:
SMILES:
CCBr
InChI:
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
Key Properties
Boiling Point
38.2 °C
CAS Common Chemistry
Melting Point
-119 °C
CAS Common Chemistry
Density
1.46 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 | 108.97 g/mol | CAS Common Chemistry |
| 108.966 g/mol | RDKit | |
| 107.95746226 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.4612 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromoethane | CAS Common Chemistry |
| Boiling Point | 38.2 °C | CAS Common Chemistry |
| Canonical SMILES | BrCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5Br/c1-2-3/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RDHPKYGYEGBMSE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -119 °C | CAS Common Chemistry |
| Name | Ethyl bromide | CAS Common Chemistry |
| Bromoethane | 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 | 1.4012 | RDKit |
| Molar Refractivity | 19.467999999999996 | RDKit |
