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1,2-Dichloroethene
CAS: 156-59-2 | C2H2Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
156-59-2
Molecular Formula:
C2H2Cl2
Molecular Mass:
96.94 g/mol
Names and Synonyms:
1,2-Dichloroethene
Ethene, 1,2-dichloro-, (1Z)-
Ethylene, 1,2-dichloro-, (Z)-
Ethene, 1,2-dichloro-, (Z)-
(1Z)-1,2-Dichloroethene
cis-1,2-Dichloroethylene
(Z)-1,2-Dichloroethylene
1,2-cis-Dichloroethylene
cis-Dichloroethylene
cis-1,2-Dichlorethylene
1,2-cis-Dichloroethene
HCC 1130c
(Z)-1,2-Dichloroethene
R 1130c
cis-1,2-Dichloroethene
cis-Dichloroethene
Identifiers:
SMILES:
Cl/C=CCl
InChI:
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
Key Properties
Boiling Point
60.1 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-80 °C
CAS Common Chemistry
Density
1.28 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 | 1.28 g/cm³ | CAS Common Chemistry |
| 1.2837 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Dichloroethene | CAS Common Chemistry |
| Boiling Point | 60.1 °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-UPHRSURJSA-N | CAS Common Chemistry |
| Melting Point | -80 °C | CAS Common Chemistry |
| Name | cis-1,2-Dichloroethene | CAS Common Chemistry |
| 1,2-Dichloroethene | 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 |
