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Molecule
1,2-Dichloroethylene
CAS: 540-59-0 · C2H2Cl2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 540-59-0
- Molecular Formula
- C2H2Cl2
- Molecular Mass
- 96.94 g/mol
Identifiers
CAS Registry Number
540-59-0
SMILES
ClC=CCl
InChI Key
KFUSEUYYWQURPO-UHFFFAOYSA-N
InChI
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H
Names and Synonyms
- 1,2-Dichloroethylene Systematic Name
- Ethene, 1,2-dichloro- Synonym
- Ethylene, 1,2-dichloro- Synonym
- 1,2-Dichloroethene Synonym
- 1,2-Dichloroethylene Synonym
- Dioform Synonym
- Acetylene dichloride Synonym
- sym-Dichloroethylene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.94 g/mol | CAS Common Chemistry |
| 96.94400000000002 g/mol | RDKit | |
| 96.944 g/mol | RDKit | |
| 96.938 g/mol | chempirical lib | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.28 g/cm3 (approx) | CAS Common Chemistry | |
| Boiling Point | 55 °C (approx) | CAS Common Chemistry |
| Canonical SMILES | ClC=CCl | CAS Common Chemistry |
| InChI | InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=KFUSEUYYWQURPO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -50 °C | CAS Common Chemistry |
| Name | 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 |
| 1.8 | chempirical lib | |
| Molar Refractivity | 20.845999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 95.953355424 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 96.94 g/mol; density = 1.280 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H2Cl2.
