Back to Search
1,2-Dichloro-1-Ethoxyethane
CAS: 623-46-1 | C4H8Cl2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
623-46-1
Molecular Formula:
C4H8Cl2O
Molecular Mass:
143.01 g/mol
Names and Synonyms:
1,2-Dichloro-1-Ethoxyethane
Ethane, 1,2-dichloro-1-ethoxy-
Ether, 1,2-dichloroethyl ethyl
1,2-Dichloro-1-ethoxyethane
1,2-Dichloroethyl ethyl ether
1,2-Dichloro-2-ethoxyethane
α,β-Dichloroethyl ethyl ether
NSC 163477
Identifiers:
SMILES:
CCOC(Cl)CCl
InChI:
InChI=1S/C4H8Cl2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3
Key Properties
Boiling Point
145 °C
CAS Common Chemistry
Density
1.19 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.01 g/mol | CAS Common Chemistry |
| 143.01300000000003 g/mol | RDKit | |
| 141.995220236 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.1870 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 145 °C | CAS Common Chemistry |
| Canonical SMILES | ClCC(Cl)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H8Cl2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NNBUKAPOVBEMNI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Dichloro-1-ethoxyethane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.8266 | RDKit |
| Molar Refractivity | 31.986999999999988 | RDKit |
