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Molecule
Dichloromethyl Methyl Ether
CAS: 4885-02-3 · C2H4Cl2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4885-02-3
- Molecular Formula
- C2H4Cl2O
- Molecular Mass
- 114.96 g/mol
Identifiers
CAS Registry Number
4885-02-3
SMILES
COC(Cl)Cl
InChI Key
GRTGGSXWHGKRSB-UHFFFAOYSA-N
InChI
InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3
Names and Synonyms
- Dichloromethyl Methyl Ether Synonym
- Methane, dichloromethoxy- Synonym
- Ether, dichloromethyl methyl Synonym
- Dichloromethoxymethane Synonym
- Dichloromethyl methyl ether Synonym
- 1,1-Dichlorodimethyl ether Synonym
- 1,1-Dichloromethyl methyl ether Synonym
- α,α-Dichloromethyl methyl ether Synonym
- Methoxydichloromethane Synonym
- Methyl α,α-dichloromethyl ether Synonym
- Chloromyl Synonym
- NSC 91480 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.96 g/mol | CAS Common Chemistry |
| 114.959 g/mol | RDKit | |
| 114.953 g/mol | chempirical lib | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.4299 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichloromethyl_methyl_ether | CAS Common Chemistry |
| Boiling Point | 84-86.5 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)OC | CAS Common Chemistry |
| InChI | InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GRTGGSXWHGKRSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dichloromethyl methyl ether | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.394 | RDKit |
| Molar Refractivity | 22.502999999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 113.963920108 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 114.96 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H4Cl2O.
