Cas no 34632-89-8 (1-chlorohexa-2,4-diene)

1-Chlorohexa-2,4-diene is a chlorinated diene compound with the molecular formula C?H?Cl, featuring conjugated double bonds at the 2- and 4-positions. This structure imparts reactivity suitable for applications in organic synthesis, particularly as an intermediate in Diels-Alder reactions, polymerization, or functional group transformations. The presence of both chlorine and diene moieties allows for selective modifications, making it valuable in fine chemical and pharmaceutical manufacturing. Its conjugated system enhances stability while maintaining electrophilic character at the chlorine site. The compound is typically handled under inert conditions due to potential sensitivity to light and air. Proper storage and handling are essential to preserve its reactivity and purity.
1-chlorohexa-2,4-diene structure
1-chlorohexa-2,4-diene structure
Product Name:1-chlorohexa-2,4-diene
CAS No:34632-89-8
MF:C6H9Cl
MW:116.588660955429
MDL:MFCD19232122
CID:1469313
PubChem ID:642180
Update Time:2025-11-02

1-chlorohexa-2,4-diene Chemical and Physical Properties

Names and Identifiers

    • 1-chlorohexa-2,4-diene
    • 2,4-hexadiene, 1-chloro-
    • LogP
    • (2E,4E)-1-chlorohexa-2,4-diene
    • DTXSID90956128
    • OGAKEJHVQRBQLA-UHFFFAOYSA-N
    • 1-Chloro-2,4-hexadiene
    • 34632-89-8
    • MDL: MFCD19232122
    • Inchi: 1S/C6H9Cl/c1-2-3-4-5-6-7/h2-5H,6H2,1H3
    • InChI Key: OGAKEJHVQRBQLA-UHFFFAOYSA-N
    • SMILES: ClCC=CC=CC

Computed Properties

  • Exact Mass: 116.03937
  • Monoisotopic Mass: 116.0392780g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 72.2
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 2.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

1-chlorohexa-2,4-diene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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$229.0 2023-09-16
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Enamine
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Enamine
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$0.0 2023-06-07
Enamine
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Enamine
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