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Ethene, 1,2-Dichloro-1-Fluoro-
CAS: 430-58-0 | C2HCl2F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
430-58-0
Molecular Formula:
C2HCl2F
Molecular Mass:
114.93 g/mol
Names and Synonyms:
Ethene, 1,2-Dichloro-1-Fluoro-
Ethene, 1,2-dichloro-1-fluoro-
Ethylene, 1,2-dichloro-1-fluoro-
1-Fluoro-1,2-dichloroethylene
1,2-Dichloro-1-fluoroethylene
1,2-Dichlorofluoroethylene
1,2-Dichlorofluoroethene
HCFC 1121
Identifiers:
SMILES:
FC(Cl)=CCl
InChI:
InChI=1S/C2HCl2F/c3-1-2(4)5/h1H
Key Properties
Boiling Point
35 °C
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 | 114.93 g/mol | CAS Common Chemistry |
| 114.934 g/mol | RDKit | |
| 113.943933612 g/mol | RDKit | |
| Boiling Point | 35 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)=CCl | CAS Common Chemistry |
| InChI | InChI=1S/C2HCl2F/c3-1-2(4)5/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=LWDGFGTYBDRKHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethene, 1,2-dichloro-1-fluoro- | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 2.2324 | RDKit |
| Molar Refractivity | 20.897 | RDKit |
