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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
Names and Synonyms:
1,1-Dichloroethene
Ethene, 1,1-dichloro-
Ethylene, 1,1-dichloro-
1,1-Dichloroethene
Vinylidene chloride
1,1-Dichloroethylene
HCC 1130a
F 1130a
R 1130a
Iso-dichloroethylene
Diofan A 565S
XAN 10
Identifiers:
SMILES:
C=C(Cl)Cl
InChI:
InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
Key Properties
Boiling Point
31.7 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-122.5 °C
CAS Common Chemistry
Density
1.21 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 |
| 96.944 g/mol | RDKit | |
| 95.953355424 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2129 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1-Dichloroethene | CAS Common Chemistry |
| Boiling Point | 31.7 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 20.845999999999997 | RDKit |
