Cas no 3922-36-9 (1,1,1,7-tetrachloroheptane)

1,1,1,7-tetrachloroheptane structure
1,1,1,7-tetrachloroheptane structure
Product Name:1,1,1,7-tetrachloroheptane
CAS No:3922-36-9
MF:C7H12Cl4
MW:237.982178688049
CID:1500623
PubChem ID:19821
Update Time:2025-04-21

1,1,1,7-tetrachloroheptane Chemical and Physical Properties

Names and Identifiers

    • 1,1,1,7-tetrachloroheptane
    • heptane, 1,1,1,7-tetrachloro-
    • BRN 1742531
    • 3922-36-9
    • 4-01-00-00391 (Beilstein Handbook Reference)
    • SCHEMBL6476782
    • DTXSID10192480
    • HIZWVJSDYNNBMS-UHFFFAOYSA-N
    • Inchi: 1S/C7H12Cl4/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2
    • InChI Key: HIZWVJSDYNNBMS-UHFFFAOYSA-N
    • SMILES: ClC(CCCCCCCl)(Cl)Cl

Computed Properties

  • Exact Mass: 235.96956
  • Monoisotopic Mass: 235.969311g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 86.9
  • 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: 4.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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