Back to Search
Molecule
2-Bromoethyl Ethyl Ether
CAS: 592-55-2 · C4H9BrO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 592-55-2
- Molecular Formula
- C4H9BrO
- Molecular Mass
- 153.02 g/mol
Identifiers
CAS Registry Number
592-55-2
SMILES
CCOCCBr
InChI Key
MMYKTRPLXXWLBC-UHFFFAOYSA-N
InChI
InChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3
Names and Synonyms
- 2-Bromoethyl Ethyl Ether Synonym
- Ethane, 1-bromo-2-ethoxy- Synonym
- Ether, 2-bromoethyl ethyl Synonym
- 1-Bromo-2-ethoxyethane Synonym
- 2-Bromoethyl ethyl ether Synonym
- 2-Ethoxyethyl bromide Synonym
- 1-Ethoxy-2-bromoethane Synonym
- 1-Bromo-2-ethoxyethylene Synonym
- 2-Bromoethoxyethane Synonym
- 5-Bromo-3-oxapentane Synonym
- 1-Bromo-3-oxapentane Synonym
- NSC 8026 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.02 g/mol | CAS Common Chemistry |
| 153.019 g/mol | RDKit | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.394 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 127.5 °C | CAS Common Chemistry |
| Canonical SMILES | BrCCOCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MMYKTRPLXXWLBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Bromoethyl ethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.4178 | RDKit |
| Molar Refractivity | 30.28699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.983677008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 153.02 g/mol; density = 1.390 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9BrO.
