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2-Bromoethyl Ether
CAS: 5414-19-7 | C4H8Br2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5414-19-7
Molecular Formula:
C4H8Br2O
Molecular Mass:
231.92 g/mol
Names and Synonyms:
2-Bromoethyl Ether
Ethane, 1,1′-oxybis[2-bromo-
Ether, bis(2-bromoethyl)
1,1′-Oxybis[2-bromoethane]
β,β′-Dibromodiethyl ether
Bis(2-bromoethyl) ether
2,2′-Dibromodiethyl ether
1,5-Dibromo-3-oxapentane
Bromex
3-Oxa-1,5-dibromopentane
Bis(β-bromoethyl) ether
2-(2-Bromoethoxy)ethyl bromide
Di(2-bromoethyl) ether
2-Bromoethyl ether
NSC 8025
1-(2-Bromoethoxy)-2-bromoethane
1-Bromo-2-(2-bromoethoxy)ethane
L 11510
Identifiers:
SMILES:
BrCCOCCBr
InChI:
InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
Key Properties
Boiling Point
115 °C
CAS Common Chemistry
Density
1.82 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 | 231.92 g/mol | CAS Common Chemistry |
| 231.91499999999996 g/mol | RDKit | |
| 229.894189076 g/mol | RDKit | |
| Density | 1.82 g/cm³ | CAS Common Chemistry |
| 1.8222 g/cm3 @ Temp: 27 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Bromoethyl_ether | CAS Common Chemistry |
| Boiling Point | 115 °C | CAS Common Chemistry |
| Canonical SMILES | BrCCOCCBr | CAS Common Chemistry |
| InChI | InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FOZVXADQAHVUSV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Bromoethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.7928 | RDKit |
| Molar Refractivity | 38.40700000000001 | RDKit |
