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Trans-1,2-Dichloroethylene
CAS: 156-60-5 | C2H2Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
156-60-5
Molecular Formula:
C2H2Cl2
Molecular Mass:
96.94 g/mol
Names and Synonyms:
Trans-1,2-Dichloroethylene
Ethene, 1,2-dichloro-, (1E)-
Ethylene, 1,2-dichloro-, (E)-
Ethene, 1,2-dichloro-, (E)-
Ethylene, 1,2-dichloro-, trans-
(1E)-1,2-Dichloroethene
trans-1,2-Dichloroethylene
trans-1,2-Dichloroethene
(E)-1,2-Dichloroethylene
1,2-trans-Dichloroethene
(E)-1,2-Dichloroethene
1,2-trans-Dichloroethylene
HCC 1130t
R 1130t
NSC 60512
R 1130(E)
Identifiers:
SMILES:
Cl/C=C/Cl
InChI:
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+
Key Properties
Boiling Point
48.7 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-49.8 °C
CAS Common Chemistry
Density
1.26 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 | 96.94 g/mol | CAS Common Chemistry |
| 96.94400000000002 g/mol | RDKit | |
| 95.953355424 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.2565 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 48.7 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC=CCl | CAS Common Chemistry |
| InChI | InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+ | CAS Common Chemistry |
| InChI Key | InChIKey=KFUSEUYYWQURPO-OWOJBTEDSA-N | CAS Common Chemistry |
| Melting Point | -49.8 °C | CAS Common Chemistry |
| Name | trans-1,2-Dichloroethylene | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.9352 | RDKit |
| Molar Refractivity | 20.845999999999997 | RDKit |
