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1,2-Dichloroethane
CAS: 107-06-2 | C2H4Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-06-2
Molecular Formula:
C2H4Cl2
Molecular Weight:
98.96000000000001 g/mol
Names and Synonyms:
1,2-Dichloroethane
Ethane, 1,2-dichloro-
1,2-Dichloroethane
Brocide
sym-Dichloroethane
α,β-Dichloroethane
Dutch liquid
Ethylene chloride
Ethylene dichloride
Glycol dichloride
1,2-Bichloroethane
1,2-Dichlorethane
Dichlor-Mulsion
DCE
HCC 150
1,2-Ethylene dichloride
Identifiers:
SMILES:
ClCCCl
InChI:
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 98.96000000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 97.969005488 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.464 | RDKit |
| molecular_mass | 98.96 g/mol | Legacy Database |
| density | 1.24 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1,2-Dichloroethane None | Legacy Database |
| cas-boiling-point | 83.5 °C None | Legacy Database |
| cas-canonical-smile | ClCCCl None | Legacy Database |
| cas-density | 1.2351 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WSLDOOZREJYCGB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -35.3 °C None | Legacy Database |
| cas-name | 1,2-Dichloroethane None | Legacy Database |
| wikipedia-name | 1,2-Dichloroethane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.439999999999994 | RDKit |
