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(Chloromethoxy)Ethane
CAS: 3188-13-4 | C3H7ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3188-13-4
Molecular Formula:
C3H7ClO
Molecular Weight:
94.541 g/mol
Names and Synonyms:
(Chloromethoxy)Ethane
Common Name
Ethoxychloromethane
Synonym
Ethyl chloromethyl ether
Synonym
Ethoxymethyl chloride
Synonym
Chloromethyl ethyl ether
Synonym
(Chloromethoxy)ethane
Synonym
Ether, chloromethyl ethyl
Synonym
Ethane, (chloromethoxy)-
Synonym
Identifiers:
SMILES:
CCOCCl
InChI:
InChI=1S/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3
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 |
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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 | 1.2192 | RDKit |
| molecular_mass | 94.54 g/mol | Legacy Database |
| density | 1.02 g/cm³ | Legacy Database |
| cas-boiling-point | 83 °C None | Legacy Database |
| cas-canonical-smile | ClCOCC None | Legacy Database |
| cas-density | 1.0188 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FCYRSDMGOLYDHL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (Chloromethoxy)ethane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.345999999999993 | RDKit |