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Molecule
2-Chloroethyl Vinyl Ether
CAS: 110-75-8 · C4H7ClO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-75-8
- Molecular Formula
- C4H7ClO
- Molecular Mass
- 106.55 g/mol
Identifiers
CAS Registry Number
110-75-8
SMILES
C=COCCCl
InChI Key
DNJRKFKAFWSXSE-UHFFFAOYSA-N
InChI
InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2
Names and Synonyms
- 2-Chloroethyl Vinyl Ether Synonym
- Ethene, (2-chloroethoxy)- Synonym
- Ether, 2-chloroethyl vinyl Synonym
- (2-Chloroethoxy)ethene Synonym
- 2-Chloroethyl vinyl ether Synonym
- Vinyl β-chloroethyl ether Synonym
- Vinyl 2-chloroethyl ether Synonym
- β-Chloroethyl vinyl ether Synonym
- 2-Vinyloxyethyl chloride Synonym
- 1-Chloro-2-vinyloxyethane Synonym
- NSC 8261 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 106.55 g/mol | CAS Common Chemistry |
| 106.552 g/mol | RDKit | |
| 106.549 g/mol | chempirical lib | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0495 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 110 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCOC=C | CAS Common Chemistry |
| InChI | InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DNJRKFKAFWSXSE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -70.3 °C | CAS Common Chemistry |
| Name | 2-Chloroethyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.3853 | RDKit |
| Molar Refractivity | 26.86899999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 106.018542524 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 106.55 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7ClO.
