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Molecule
Bromoethane
CAS: 74-96-4 · C2H5Br
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 74-96-4
- Molecular Formula
- C2H5Br
- Molecular Mass
- 108.97 g/mol
Identifiers
CAS Registry Number
74-96-4
SMILES
CCBr
InChI Key
RDHPKYGYEGBMSE-UHFFFAOYSA-N
InChI
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
Names and Synonyms
- Bromoethane Synonym
- Ethane, bromo- Synonym
- Bromoethane Synonym
- Bromic ether Synonym
- Hydrobromic ether Synonym
- Monobromoethane Synonym
- Ethyl bromide Synonym
- F 160B1 Synonym
- NSC 8824 Synonym
- 2-Bromoethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.97 g/mol | CAS Common Chemistry |
| 108.966 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.4612 g/cm3 @ 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 |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 107.95746226 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 108.97 g/mol; density = 1.460 g/mL. Edit any field — others recompute live.
