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Molecule
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
Identifiers
CAS Registry Number
5414-19-7
SMILES
BrCCOCCBr
InChI Key
FOZVXADQAHVUSV-UHFFFAOYSA-N
InChI
InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
Names and Synonyms
- 2-Bromoethyl Ether Systematic Name
- Ethane, 1,1′-oxybis[2-bromo- Synonym
- Ether, bis(2-bromoethyl) Synonym
- 1,1′-Oxybis[2-bromoethane] Synonym
- β,β′-Dibromodiethyl ether Synonym
- Bis(2-bromoethyl) ether Synonym
- 2,2′-Dibromodiethyl ether Synonym
- 1,5-Dibromo-3-oxapentane Synonym
- Bromex Synonym
- 3-Oxa-1,5-dibromopentane Synonym
- Bis(β-bromoethyl) ether Synonym
- 2-(2-Bromoethoxy)ethyl bromide Synonym
- Di(2-bromoethyl) ether Synonym
- 2-Bromoethyl ether Synonym
- NSC 8025 Synonym
- 1-(2-Bromoethoxy)-2-bromoethane Synonym
- 1-Bromo-2-(2-bromoethoxy)ethane Synonym
- L 11510 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.92 g/mol | CAS Common Chemistry |
| 231.91499999999996 g/mol | RDKit | |
| 231.915 g/mol | RDKit | |
| Density | 1.82 g/cm³ | CAS Common Chemistry |
| 1.8222 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 229.894189076 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 231.92 g/mol; density = 1.820 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8Br2O.
