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Molecule
1,1-Dichloroethene
CAS: 75-35-4 · C2H2Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-35-4
- Molecular Formula
- C2H2Cl2
- Molecular Mass
- 96.94 g/mol
Identifiers
CAS Registry Number
75-35-4
SMILES
C=C(Cl)Cl
InChI Key
LGXVIGDEPROXKC-UHFFFAOYSA-N
InChI
InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
Names and Synonyms
- 1,1-Dichloroethene Systematic Name
- Ethene, 1,1-dichloro- Synonym
- Ethylene, 1,1-dichloro- Synonym
- 1,1-Dichloroethene Synonym
- Vinylidene chloride Synonym
- 1,1-Dichloroethylene Synonym
- HCC 1130a Synonym
- F 1130a Synonym
- R 1130a Synonym
- Iso-dichloroethylene Synonym
- Diofan A 565S Synonym
- XAN 10 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.94 g/mol | CAS Common Chemistry |
| 96.944 g/mol | RDKit | |
| 96.938 g/mol | chempirical lib | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2129 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1-Dichloroethene | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)=C | CAS Common Chemistry |
| InChI | InChI=1S/C2H2Cl2/c1-2(3)4/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LGXVIGDEPROXKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -122.5 °C | CAS Common Chemistry |
| Name | Vinylidene chloride | CAS Common Chemistry |
| 1,1-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 |
| 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 |
| Boiling Point | 31.7 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 96.94 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H2Cl2.
