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Molecule
1,2-Dichloroethane
CAS: 107-06-2 · C2H4Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 107-06-2
- Molecular Formula
- C2H4Cl2
- Molecular Mass
- 98.96 g/mol
Identifiers
CAS Registry Number
107-06-2
SMILES
ClCCCl
InChI Key
WSLDOOZREJYCGB-UHFFFAOYSA-N
InChI
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
Names and Synonyms
- 1,2-Dichloroethane Synonym
- Ethane, 1,2-dichloro- Synonym
- 1,2-Dichloroethane Synonym
- Brocide Synonym
- sym-Dichloroethane Synonym
- α,β-Dichloroethane Synonym
- Dutch liquid Synonym
- Ethylene chloride Synonym
- Ethylene dichloride Synonym
- Glycol dichloride Synonym
- 1,2-Bichloroethane Synonym
- 1,2-Dichlorethane Synonym
- Dichlor-Mulsion Synonym
- DCE Synonym
- HCC 150 Synonym
- 1,2-Ethylene dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.96 g/mol | CAS Common Chemistry |
| 98.96000000000001 g/mol | RDKit | |
| 98.954 g/mol | chempirical lib | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.2351 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Dichloroethane | CAS Common Chemistry |
| Boiling Point | 83.5 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCCl | CAS Common Chemistry |
| InChI | InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WSLDOOZREJYCGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35.3 °C | CAS Common Chemistry |
| Name | 1,2-Dichloroethane | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.464 | RDKit |
| Molar Refractivity | 21.439999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 97.969005488 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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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Quick conversion
MW = 98.96 g/mol; density = 1.240 g/mL. Edit any field — others recompute live.
