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1,2-Dibromoethane
CAS: 106-93-4 | C2H4Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106-93-4
Molecular Formula:
C2H4Br2
Molecular Mass:
187.86 g/mol
Names and Synonyms:
1,2-Dibromoethane
Ethane, 1,2-dibromo-
1,2-Dibromoethane
Bromofume
sym-Dibromoethane
α,β-Dibromoethane
Dowfume W 8
Glycol dibromide
Iscobrome D
Soilfume
Aadibroom
Dowfume W 85
Nefis
Sanhyuum
Ethylene dibromide
Ethylene bromide
EDB
Soilbrom
α,ω-Dibromoethane
Edabrom
Identifiers:
SMILES:
BrCCBr
InChI:
InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
Key Properties
Boiling Point
131-132 °C
CAS Common Chemistry
Melting Point
9.97 °C
CAS Common Chemistry
Density
2.20 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 | 187.86 g/mol | CAS Common Chemistry |
| 187.862 g/mol | RDKit | |
| 185.867974328 g/mol | RDKit | |
| Density | 2.20 g/cm³ | CAS Common Chemistry |
| 2.2 g/cm3 | CAS Common Chemistry | |
| 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 | RDKit |
