Ketcher 11261601322D 1   1.00000     0.00000     0

  5  4  0     0  0            999 V2000
   16.1996   -6.5836    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.0656   -6.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9317   -6.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7977   -6.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6637   -6.5836    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
M  END
> <ID>
CHEBI:82270

> <NAME>
bis(chloromethyl) ether

> <DEFINITION>
An ether that is dimethyl ether in which one of the hydrogens attached to each of the methyl group has replaced by a chlorine.

> <STAR>
3

> <SYNONYM>
sym-dichloromethyl ether; sym-dichloromethyl ether; sym-dichloro-dimethyl ether; oxybis(chloromethane); dichloromethyl ether, symmetrical; chloro(chloromethoxy)methane; BCME; alpha,alpha'-dichlorodimethyl ether

> <IUPAC_NAME>
bis(chloromethyl) ether

> <FORMULA>
C2H4Cl2O

> <MASS>
114.959

> <MONOISOTOPIC_MASS>
113.96392

> <CHARGE>
0

> <SMILES>
ClCOCCl

> <INCHI>
InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2

> <INCHIKEY>
HRQGCQVOJVTVLU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
542-88-1

> <CHEMIDPLUS>
542-88-1

> <KEGG_COMPOUND_ACCESSION>
C19158

> <NIST_CHEMISTRY_WEBBOOK>
542-88-1

> <WIKIPEDIA_ACCESSION>
Bis(chloromethyl)_ether

> <PUBMED_CITATION>
1115531; 15320321; 21089828; 21850114; 2526731; 5558146; 722181; 7298204; 9489299

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