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2-Chloroethyl Vinyl Ether
CAS: 110-75-8 | C4H7ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-75-8
Molecular Formula:
C4H7ClO
Molecular Weight:
106.552 g/mol
Names and Synonyms:
2-Chloroethyl Vinyl Ether
Ethene, (2-chloroethoxy)-
Ether, 2-chloroethyl vinyl
(2-Chloroethoxy)ethene
2-Chloroethyl vinyl ether
Vinyl β-chloroethyl ether
Vinyl 2-chloroethyl ether
β-Chloroethyl vinyl ether
2-Vinyloxyethyl chloride
1-Chloro-2-vinyloxyethane
NSC 8261
Identifiers:
SMILES:
C=COCCCl
InChI:
InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 106.552 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 106.018542524 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.3853 | RDKit |
| molecular_mass | 106.55 g/mol | Legacy Database |
| density | 1.05 g/cm³ | Legacy Database |
| cas-boiling-point | 110 °C None | Legacy Database |
| cas-canonical-smile | ClCCOC=C None | Legacy Database |
| cas-density | 1.0495 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=DNJRKFKAFWSXSE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -70.3 °C None | Legacy Database |
| cas-name | 2-Chloroethyl vinyl ether None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.86899999999999 | RDKit |
