Back to Search
Chloromethyl Methyl Ether
CAS: 107-30-2 | C2H5ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-30-2
Molecular Formula:
C2H5ClO
Molecular Weight:
80.51400000000001 g/mol
Names and Synonyms:
Chloromethyl Methyl Ether
Common Name
MOMCl
Synonym
1-Chloro-1-methoxy methane
Synonym
Monochlorodimethylene ether
Synonym
NSC 93873
Synonym
NSC 21208
Synonym
Monochloromethyl methyl ether
Synonym
Methoxychloromethane
Synonym
Methoxymethyl chloride
Synonym
Methyl chloromethyl ether
Synonym
Monochlorodimethyl ether
Synonym
Chloromethyl methyl ether
Synonym
Chlorodimethyl ether
Synonym
Chloromethoxymethane
Synonym
Ether, chloromethyl methyl
Synonym
Methane, chloromethoxy-
Synonym
Identifiers:
SMILES:
COCCl
InChI:
InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
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 | 80.51400000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 80.00289246 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 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 | 0.8291000000000001 | RDKit |
| molecular_mass | 80.51 g/mol | Legacy Database |
| density | 1.06 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chloromethyl_methyl_ether None | Legacy Database |
| cas-boiling-point | 59.5 °C None | Legacy Database |
| cas-canonical-smile | ClCOC None | Legacy Database |
| cas-density | 1.0603 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XJUZRXYOEPSWMB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -103.5 °C None | Legacy Database |
| cas-name | Chloromethyl methyl ether None | Legacy Database |
| wikipedia-name | Chloromethyl methyl ether None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.729 | RDKit |