Cas no 7208-92-6 (bis(2-chloroethyl) ethanedioate)

bis(2-chloroethyl) ethanedioate structure
7208-92-6 structure
Product Name:bis(2-chloroethyl) ethanedioate
CAS No:7208-92-6
MF:C6H8Cl2O4
MW:215.031320571899
CID:1752731
PubChem ID:242715
Update Time:2025-04-21

bis(2-chloroethyl) ethanedioate Chemical and Physical Properties

Names and Identifiers

    • bis(2-chloroethyl) ethanedioate
    • bis(2-chloroethyl) oxalate
    • SBMXVRZZQIZQIZ-UHFFFAOYSA-N
    • NSC-51579
    • DTXSID70287563
    • NSC51579
    • 7208-92-6
    • SCHEMBL1126985
    • Inchi: 1S/C6H8Cl2O4/c7-1-3-11-5(9)6(10)12-4-2-8/h1-4H2
    • InChI Key: SBMXVRZZQIZQIZ-UHFFFAOYSA-N
    • SMILES: ClCCOC(C(=O)OCCCl)=O

Computed Properties

  • Exact Mass: 213.98004
  • Monoisotopic Mass: 213.98
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 142
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.366
  • Boiling Point: 256°C at 760 mmHg
  • Flash Point: 106.6°C
  • Refractive Index: 1.46
  • PSA: 52.6
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