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2-Chloroethyl Methyl Ether
CAS: 627-42-9 | C3H7ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
627-42-9
Molecular Formula:
C3H7ClO
Molecular Weight:
94.541 g/mol
Names and Synonyms:
2-Chloroethyl Methyl Ether
Common Name
1-Chloro-2-(methyloxy)ethane
Synonym
Methyl 2-chloroethyl ether
Synonym
R-E 280
Synonym
2-Chloro-1-methoxyethane
Synonym
Ethylenechlorohydrin methyl ether
Synonym
2-Methoxyethyl chloride
Synonym
2-Chloroethyl methyl ether
Synonym
1-Chloro-2-methoxyethane
Synonym
Ether, 2-chloroethyl methyl
Synonym
Ethane, 1-chloro-2-methoxy-
Synonym
Identifiers:
SMILES:
COCCCl
InChI:
InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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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 | 94.541 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 94.018542524 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 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 | 0.8716 | RDKit |
| molecular_mass | 94.54 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| cas-boiling-point | 92-93 °C None | Legacy Database |
| cas-canonical-smile | ClCCOC None | Legacy Database |
| cas-density | 1.0345 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XTIGGAHUZJWQMD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 91 °C None | Legacy Database |
| cas-name | 2-Chloroethyl methyl ether None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.595999999999993 | RDKit |