Cas no 41761-11-9 (CID 21856005)

CID 21856005 structure
CID 21856005 structure
Product Name:CID 21856005
CAS No:41761-11-9
MF:C6H12Cl2
MW:155.065480232239
CID:2668202
PubChem ID:21856005
Update Time:2025-04-21

CID 21856005 Chemical and Physical Properties

Names and Identifiers

    • (2R,5S)-2,5-Dichlorohexane
    • meso-2,5-dichloro-hexane
    • 41761-11-9
    • CID 21856005
    • Inchi: 1S/C6H12Cl2/c1-5(7)3-4-6(2)8/h5-6H,3-4H2,1-2H3/t5-,6+
    • InChI Key: RRFNCPBJVPQIPP-OLQVQODUSA-N
    • SMILES: Cl[C@H](C)CC[C@H](C)Cl

Computed Properties

  • Exact Mass: 154.031606
  • Monoisotopic Mass: 154.031606
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 46.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0
  • XLogP3: 3

Experimental Properties

  • Density: 1.0805 (estimate)
  • Melting Point: -48.02°C (estimate)
  • Boiling Point: 175.06°C (estimate)
  • Flash Point: 52.5°C
  • Refractive Index: 1.4289 (estimate)
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