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Molecule
Bromoethyl Methyl Ether
CAS: 6482-24-2 · C3H7BrO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6482-24-2
- Molecular Formula
- C3H7BrO
- Molecular Mass
- 138.99 g/mol
Identifiers
CAS Registry Number
6482-24-2
SMILES
COCCBr
InChI Key
YZUPZGFPHUVJKC-UHFFFAOYSA-N
InChI
InChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3
Names and Synonyms
- Bromoethyl Methyl Ether Synonym
- Ethane, 1-bromo-2-methoxy- Synonym
- Ether, 2-bromoethyl methyl Synonym
- 1-Bromo-2-methoxyethane Synonym
- 2-Methoxyethyl bromide Synonym
- 2-Bromoethyl methyl ether Synonym
- Methoxyethyl bromide Synonym
- β-Methoxyethyl bromide Synonym
- 2-Bromo-1-methoxyethane Synonym
- NSC 81806 Synonym
- (2-Methoxy)bromoethane Synonym
- 2-Methoxy-1-bromoethane Synonym
- Bromoethyl methyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.99 g/mol | CAS Common Chemistry |
| 138.992 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.4369 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | BrCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YZUPZGFPHUVJKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bromoethyl methyl ether | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.0277 | RDKit |
| Molar Refractivity | 25.66999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 137.968026944 g/mol | RDKit |
| Boiling Point | 54-55 °C @ 30 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 138.99 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7BrO.
