Cas no 98136-33-5 (1,4-Pentadiyne, 3-chloro-)

1,4-Pentadiyne, 3-chloro- structure
1,4-Pentadiyne, 3-chloro- structure
Product Name:1,4-Pentadiyne, 3-chloro-
CAS No:98136-33-5
MF:C5H3Cl
MW:98.5303204059601
CID:6123634
PubChem ID:54448061
Update Time:2025-09-19

1,4-Pentadiyne, 3-chloro- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Pentadiyne, 3-chloro-
    • EN300-7230076
    • 98136-33-5
    • 3-chloropenta-1,4-diyne
    • Inchi: 1S/C5H3Cl/c1-3-5(6)4-2/h1-2,5H
    • InChI Key: WSYPOZJDYQMFLY-UHFFFAOYSA-N
    • SMILES: C#CC(Cl)C#C

Computed Properties

  • Exact Mass: 97.9923278g/mol
  • Monoisotopic Mass: 97.9923278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 101
  • 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: 1.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.090±0.06 g/cm3(Predicted)
  • Boiling Point: 43-44 °C(Press: 90 Torr)

1,4-Pentadiyne, 3-chloro- Pricemore >>

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