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Bis(2,3-dichloropropyl) Ether

CAT: 0572-TRC-B426220-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B426220-100MGSize:100 mg
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CAS Number
7774-68-7
Synonyms
Bis(2,3-dichloropropyl) Ether; Propane, 1,2-dichloro-3-(2,3-dichloropropoxy)-; Ether, bis(2,3-dichloropropyl) (8CI); Propane, 1,1'-oxybis[2,3-dichloro- (9CI); 1,2-Dichloro-3-(2,3-dichloropropoxy)propane; Bis(2,3-Dichloropropyl) ether
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
ClCC(Cl)COCC(Cl)CCl
Molecular Formula
C6 H10 Cl4 O
Molecular Weight
239.96
InChI
InChI=1S/C6H10Cl4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2
Additionnal Information
IUPAC name: 1,2-dichloro-3-(2,3-dichloropropoxy)propane
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Bis(2,3-dichloropropyl) Ether
CAS Number7774-68-7
PubChem CID93056
IUPAC Name1,2-dichloro-3-(2,3-dichloropropoxy)propane
Molecular FormulaC6H10Cl4O
Molecular Weight239.9
XLogP2.6
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity80
SMILES
C(C(CCl)Cl)OCC(CCl)Cl
InChI
InChI=1S/C6H10Cl4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2
InChIKey
DWUVEXODBSOVSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(2,3-dichloropropyl) Ether
CAS: 7774-68-7
CID: 93056
Formula: C6H10Cl4O
MW: 239.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight239.9
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass239.945626
Monoisotopic Mass237.948576
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity80.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes