Back to Search

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 Weight: 98.96000000000001 g/mol

Names and Synonyms:

1,2-Dichloroethane
Ethane, 1,2-dichloro-
1,2-Dichloroethane
Brocide
sym-Dichloroethane
α,β-Dichloroethane
Dutch liquid
Ethylene chloride
Ethylene dichloride
Glycol dichloride
1,2-Bichloroethane
1,2-Dichlorethane
Dichlor-Mulsion
DCE
HCC 150
1,2-Ethylene dichloride

Identifiers:

SMILES:
ClCCCl
InChI:
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 98.96000000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 97.969005488 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 4 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 0 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 0.0 Ų RDKit

Physical Properties

Property Value Source
LogP 1.464 RDKit
molecular_mass 98.96 g/mol Legacy Database
density 1.24 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/1,2-Dichloroethane None Legacy Database
cas-boiling-point 83.5 °C None Legacy Database
cas-canonical-smile ClCCCl None Legacy Database
cas-density 1.2351 g/cm3 @ Temp: 20 °C None Legacy Database
cas-inchi InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 None Legacy Database
cas-inchi-key InChIKey=WSLDOOZREJYCGB-UHFFFAOYSA-N None Legacy Database
cas-melting-point -35.3 °C None Legacy Database
cas-name 1,2-Dichloroethane None Legacy Database
wikipedia-name 1,2-Dichloroethane None Legacy Database

Molar

Property Value Source
Molar Refractivity 21.439999999999994 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close