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Molecule
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 Mass
- 80.51 g/mol
Identifiers
CAS Registry Number
107-30-2
SMILES
COCCl
InChI Key
XJUZRXYOEPSWMB-UHFFFAOYSA-N
InChI
InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
Names and Synonyms
- Chloromethyl Methyl Ether Common Name
- Methane, chloromethoxy- Synonym
- Ether, chloromethyl methyl Synonym
- Chloromethoxymethane Synonym
- Chlorodimethyl ether Synonym
- Chloromethyl methyl ether Synonym
- Monochlorodimethyl ether Synonym
- Methyl chloromethyl ether Synonym
- Methoxymethyl chloride Synonym
- Methoxychloromethane Synonym
- Monochloromethyl methyl ether Synonym
- NSC 21208 Synonym
- NSC 93873 Synonym
- Monochlorodimethylene ether Synonym
- 1-Chloro-1-methoxy methane Synonym
- MOMCl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 80.51 g/mol | CAS Common Chemistry |
| 80.51400000000001 g/mol | RDKit | |
| 80.514 g/mol | RDKit | |
| 80.511 g/mol | chempirical lib | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0603 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloromethyl_methyl_ether | CAS Common Chemistry |
| Boiling Point | 59.5 °C | CAS Common Chemistry |
| Canonical SMILES | ClCOC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XJUZRXYOEPSWMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -103.5 °C | CAS Common Chemistry |
| Name | Chloromethyl methyl ether | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 0.8291000000000001 | RDKit |
| 0.8291 | RDKit | |
| Molar Refractivity | 17.729 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 80.00289246 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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Quick conversion
MW = 80.51 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
