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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
MOMCl
1-Chloro-1-methoxy methane
Monochlorodimethylene ether
NSC 93873
NSC 21208
Monochloromethyl methyl ether
Methoxychloromethane
Methoxymethyl chloride
Methyl chloromethyl ether
Monochlorodimethyl ether
Chloromethyl methyl ether
Chlorodimethyl ether
Chloromethoxymethane
Ether, chloromethyl methyl
Methane, chloromethoxy-
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 |
