Back to Search
1-Bromo-2-(2-Methoxyethoxy)Ethane
CAS: 54149-17-6 | C5H11BrO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54149-17-6
Molecular Formula:
C5H11BrO2
Molecular Mass:
183.05 g/mol
Names and Synonyms:
1-Bromo-2-(2-Methoxyethoxy)Ethane
Ethane, 1-(2-bromoethoxy)-2-methoxy-
1-(2-Bromoethoxy)-2-methoxyethane
2-(2-Methoxyethoxy)ethyl bromide
2-Bromoethyl 2-methoxyethyl ether
1-Bromo-3,6-dioxaheptane
1-Bromo-2-(2-methoxyethoxy)ethane
7-Bromo-2,5-dioxaheptane
1-Bromo-2-[1-[2-(methyloxy)ethyl]oxy]ethane
1-Bromo-2-[[2-(methyloxy)ethyl]oxy]ethane
2-(2′-Methoxyethoxy)ethyl bromide
Identifiers:
SMILES:
COCCOCCBr
InChI:
InChI=1S/C5H11BrO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3
Key Properties
Boiling Point
90-95 °C @ Press: 27 Torr
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 | 183.05 g/mol | CAS Common Chemistry |
| 183.04500000000002 g/mol | RDKit | |
| 181.994241692 g/mol | RDKit | |
| Boiling Point | 90-95 °C @ Press: 27 Torr | CAS Common Chemistry |
| Canonical SMILES | BrCCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C5H11BrO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HUXJXNSHCKHFIL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Bromo-2-(2-methoxyethoxy)ethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.0443000000000002 | RDKit |
| Molar Refractivity | 36.489000000000004 | RDKit |
