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2-Methoxyethoxymethyl Chloride
CAS: 3970-21-6 | C4H9ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3970-21-6
Molecular Formula:
C4H9ClO2
Molecular Weight:
124.56700000000001 g/mol
Names and Synonyms:
2-Methoxyethoxymethyl Chloride
Ethane, 1-(chloromethoxy)-2-methoxy-
1-(Chloromethoxy)-2-methoxyethane
2-Methoxyethoxymethyl chloride
Chloromethyl 2-methoxyethyl ether
2,5-Dioxahexyl chloride
Methoxyethoxymethyl chloride
β-Methoxyethoxymethyl chloride
2-(Chloromethoxy)ethoxymethane
Identifiers:
SMILES:
COCCOCCl
InChI:
InChI=1S/C4H9ClO2/c1-6-2-3-7-4-5/h2-4H2,1H3
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 | 124.56700000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 124.029107208 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 18.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.8457 | RDKit |
| molecular_mass | 124.57 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Methoxyethoxymethyl_chloride None | Legacy Database |
| cas-boiling-point | 150 °C None | Legacy Database |
| cas-canonical-smile | ClCOCCOC None | Legacy Database |
| cas-inchi | InChI=1S/C4H9ClO2/c1-6-2-3-7-4-5/h2-4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BIAAQBNMRITRDV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 200-202 °C None | Legacy Database |
| cas-name | 1-(Chloromethoxy)-2-methoxyethane None | Legacy Database |
| wikipedia-name | 2-Methoxyethoxymethyl chloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.54799999999999 | RDKit |
