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Molecule
1,2-Dibromoethane
CAS: 106-93-4 · C2H4Br2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106-93-4
- Molecular Formula
- C2H4Br2
- Molecular Mass
- 187.86 g/mol
Identifiers
CAS Registry Number
106-93-4
SMILES
BrCCBr
InChI Key
PAAZPARNPHGIKF-UHFFFAOYSA-N
InChI
InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
Names and Synonyms
- 1,2-Dibromoethane Synonym
- Ethane, 1,2-dibromo- Synonym
- 1,2-Dibromoethane Synonym
- Bromofume Synonym
- sym-Dibromoethane Synonym
- α,β-Dibromoethane Synonym
- Dowfume W 8 Synonym
- Glycol dibromide Synonym
- Iscobrome D Synonym
- Soilfume Synonym
- Aadibroom Synonym
- Dowfume W 85 Synonym
- Nefis Synonym
- Sanhyuum Synonym
- Ethylene dibromide Synonym
- Ethylene bromide Synonym
- EDB Synonym
- Soilbrom Synonym
- α,ω-Dibromoethane Synonym
- Edabrom Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 2.2 g/cm3 | CAS Common Chemistry |
| 2.20 g/cm³ | CAS Common Chemistry | |
| Molecular Mass | 187.86 g/mol | CAS Common Chemistry |
| 187.862 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Dibromoethane | CAS Common Chemistry |
| Boiling Point | 131-132 °C | CAS Common Chemistry |
| Canonical SMILES | BrCCBr | CAS Common Chemistry |
| InChI | InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PAAZPARNPHGIKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 9.97 °C | CAS Common Chemistry |
| Name | 1,2-Dibromoethane | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.7762 | RDKit |
| Molar Refractivity | 27.587999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 185.867974328 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 187.86 g/mol. Edit any field — others recompute live.
