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1,2-Dichloroethane, HPLC grade

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CAS Number
107-06-2
MDL Number
MFCD00000963
Smiles
ClCCCl

Chemical Information

1,2-Dichloroethane

Ethylene dichloride (1,2-Dichloroethane) can cause cancer according to an independent committee of scientific and health experts.

CAS Number107-06-2
PubChem CID11
IUPAC Name1,2-dichloroethane
Molecular FormulaC2H4Cl2
Molecular Weight98.96
XLogP1.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count4
Formal Charge0
Complexity6
SMILES
C(CCl)Cl
InChI
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
InChIKey
WSLDOOZREJYCGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dichloroethane
CAS: 107-06-2
CID: 11
Formula: C2H4Cl2
MW: 98.96
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight98.96
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass97.9690055
Monoisotopic Mass97.9690055
Topological Polar Surface Area0 Ų
Heavy Atom Count4
Formal Charge0
Complexity6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes