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Molecule
2-Chloroethyl Methyl Ether
CAS: 627-42-9 · C3H7ClO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 627-42-9
- Molecular Formula
- C3H7ClO
- Molecular Mass
- 94.54 g/mol
Identifiers
CAS Registry Number
627-42-9
SMILES
COCCCl
InChI Key
XTIGGAHUZJWQMD-UHFFFAOYSA-N
InChI
InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3
Names and Synonyms
- 2-Chloroethyl Methyl Ether Systematic Name
- Ethane, 1-chloro-2-methoxy- Synonym
- Ether, 2-chloroethyl methyl Synonym
- 1-Chloro-2-methoxyethane Synonym
- 2-Chloroethyl methyl ether Synonym
- 2-Methoxyethyl chloride Synonym
- Ethylenechlorohydrin methyl ether Synonym
- 2-Chloro-1-methoxyethane Synonym
- R-E 280 Synonym
- Methyl 2-chloroethyl ether Synonym
- 1-Chloro-2-(methyloxy)ethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 94.54 g/mol | CAS Common Chemistry |
| 94.541 g/mol | RDKit | |
| 94.538 g/mol | chempirical lib | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0345 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 92-93 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XTIGGAHUZJWQMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 91 °C | CAS Common Chemistry |
| Name | 2-Chloroethyl methyl ether | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 0.8716 | RDKit |
| Molar Refractivity | 22.595999999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 94.018542524 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 = 94.54 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7ClO.
