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2,2'-Dichlorodiethyl ether

CAT: 1299-RG-E140712-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E140712-02Size:25 mg
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CAS Number
111-44-4
Synonyms
1-chloro-2- (2-chloroethoxy) ethane
Molecular Formula
C4H8Cl2O
Molecular Weight
143.01
Product Name Synonym
1-chloro-2- (2-chloroethoxy) ethane

Chemical Information

Bis(2-chloroethyl) ether

Bis(2-chloroethyl) Ether can cause cancer according to an independent committee of scientific and health experts.

CAS Number111-44-4
PubChem CID8115
IUPAC Name1-chloro-2-(2-chloroethoxy)ethane
Molecular FormulaC4H8Cl2O
Molecular Weight143.01
XLogP1.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity28
SMILES
C(CCl)OCCCl
InChI
InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
InChIKey
ZNSMNVMLTJELDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(2-chloroethyl) ether
CAS: 111-44-4
CID: 8115
Formula: C4H8Cl2O
MW: 143.01
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight143.01
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass141.9952203
Monoisotopic Mass141.9952203
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity28.9
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