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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 Mass:
124.57 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
Key Properties
Boiling Point
150 °C
CAS Common Chemistry
Melting Point
200-202 °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 | 124.57 g/mol | CAS Common Chemistry |
| 124.56700000000001 g/mol | RDKit | |
| 124.029107208 g/mol | RDKit | |
| 124.567 g/mol | RDKit | |
| 124.564 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Methoxyethoxymethyl_chloride | CAS Common Chemistry |
| Boiling Point | 150 °C | CAS Common Chemistry |
| Canonical SMILES | ClCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9ClO2/c1-6-2-3-7-4-5/h2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BIAAQBNMRITRDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200-202 °C | CAS Common Chemistry |
| Name | 1-(Chloromethoxy)-2-methoxyethane | CAS Common Chemistry |
| 2-Methoxyethoxymethyl chloride | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 0.8457 | RDKit |
| 1.79 | chempirical lib | |
| Molar Refractivity | 28.54799999999999 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
Related Molecules
Other compounds with formula C4H9ClO2
