Home Halogens 2,2'-Dichlorodiethyl ether

2,2'-Dichlorodiethyl ether

CAS No.:
111-44-4
Catalog Number:
AG0082AJ
Molecular Formula:
C4H8Cl2O
Molecular Weight:
143.0117
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Product Description
Catalog Number:
AG0082AJ
Chemical Name:
2,2'-Dichlorodiethyl ether
CAS Number:
111-44-4
Molecular Formula:
C4H8Cl2O
Molecular Weight:
143.0117
MDL Number:
MFCD00000975
IUPAC Name:
1-chloro-2-(2-chloroethoxy)ethane
InChI:
InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
InChI Key:
ZNSMNVMLTJELDZ-UHFFFAOYSA-N
SMILES:
ClCCOCCCl
EC Number:
203-870-1
UNII:
6K7D1G5M5N
NSC Number:
406647
RTECS Number:
KN0875000
UN Number:
1916
Properties
Complexity:
28.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.995g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.007g/mol
Monoisotopic Mass:
141.995g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
New poly(N,N-dimethylaminoethyl methacrylate)/polyvinyl alcohol copolymer coated QCM sensor for interaction with CWA simulants. ACS applied materials & interfaces 20120201
Constructing chiral caves and efficiently separating enantiomers of glutamic acid with novel surface-imprinting technique. Journal of chromatography. A 20110812
Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate. Nature chemical biology 20091001
Mobility and sorption of bis-2-chloroethyl ether in an aquifer material. Journal of hazardous materials 20090915
Treatment of persistent organic compounds by integrated advanced oxidation processes and sequential batch reactor. Water research 20090901
Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. Journal of medicinal chemistry 20090813
Surface catalyzed Fenton treatment of bis(2-chloroethyl) ether and bis(2-chloroethoxy) methane. Chemosphere 20080201
Binuclear half-sandwich cobalt(III) and rhodium(III) ortho-carboranedichalocogenolato complexes with ether chain-bridged bis(cyclopentadienyl) ligand. Dalton transactions (Cambridge, England : 2003) 20061128
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Assessment of enhancement in biodegradation of dichlorodiethyl ether (DCDE) by pre-oxidation. Water research 20040301
Two lead drug designs based on chloramphenicol as the parent structure, which express alkylation activity with potential for clinical applications. The Journal of pharmacy and pharmacology 20030501
Hydroboration. 97. Synthesis of new exceptional chloroborane--Lewis base adducts for hydroboration. Dioxane--monochloroborane as a superior reagent for the selective hydroboration of terminal alkenes. The Journal of organic chemistry 20010810
Properties