Cas no 407-60-3 (1,1,1,4,4,4-hexafluoro-2-butene)

1,1,1,4,4,4-Hexafluoro-2-butene (C4H2F6) is a fluorinated olefin with applications as a refrigerant, blowing agent, and specialty solvent. Its key advantages include a low global warming potential (GWP) and zero ozone depletion potential (ODP), making it an environmentally preferable alternative to traditional hydrofluorocarbons (HFCs). The compound exhibits excellent thermal stability, chemical inertness, and non-flammability under standard conditions, ensuring safe handling in industrial processes. Its high dielectric strength and low boiling point also make it suitable for use in electrical insulation and cooling systems. The molecular structure, featuring six fluorine atoms, contributes to its inertness and compatibility with polymeric materials, enabling use in foam expansion and precision cleaning applications.
1,1,1,4,4,4-hexafluoro-2-butene structure
407-60-3 structure
Product Name:1,1,1,4,4,4-hexafluoro-2-butene
CAS No:407-60-3
MF:C4H2F6
MW:164.049102306366
CID:926159
PubChem ID:5708528
Update Time:2025-10-30

1,1,1,4,4,4-hexafluoro-2-butene Chemical and Physical Properties

Names and Identifiers

    • 1,1,1,4,4,4-hexafluoro-2-butene
    • 1,1,1,4,4,4-HEXAFLUOROBUT-2-ENE
    • 1,1,1,4,4,4-hexafluorobutene
    • Hexafluor-2-butin
    • Trans-1,1,1,4,4,4-hexafluorobut-2-ene
    • DTXSID90985276
    • 2-Butene,1,1,1,4,4,4-hexafluoro-, (2E)-
    • 4KQ73F2UQP
    • HFO-1336mzz(E)
    • MFCD00798134
    • UNII-4KQ73F2UQP
    • 407-60-3
    • 2-Butene,1,1,1,4,4,4-hexafluoro-,(2E)-
    • A846619
    • (Z)-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE
    • AKOS025309984
    • (E)-Hfo 1336
    • Halothane impurity A [EP]
    • (E)-1,1,1,4,4,4-Hexafluoro-2-butene
    • trans-1,1,1,4,4,4-hexafluoro-2-butene
    • 66711-86-2
    • (2E)-1,1,1,4,4,4-Hexafluoro-2-butene
    • 2-Butene, 1,1,1,4,4,4-hexafluoro-, (2E)-
    • SCHEMBL28819
    • HALOTHANE IMPURITY A [EP IMPURITY]
    • NS00133982
    • 2-Butene, 1,1,1,4,4,4-hexafluoro-, (E)-
    • 2,2,2-trifluoroethyl
    • HFC 1336
    • 692-49-9
    • AKOS006230609
    • (E)-1,1,1,4,4,4-hexafluorobut-2-ene
    • Inchi: 1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+
    • InChI Key: NLOLSXYRJFEOTA-OWOJBTEDSA-N
    • SMILES: FC(/C=C/C(F)(F)F)(F)F

Computed Properties

  • Exact Mass: 164.00600
  • Monoisotopic Mass: 164.00606904g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Boiling Point: 8,5°C
  • PSA: 0.00000
  • LogP: 2.66720

1,1,1,4,4,4-hexafluoro-2-butene Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:UN 3163
  • Hazardous Material Identification: Xi
  • HazardClass:GAS

1,1,1,4,4,4-hexafluoro-2-butene Customs Data

  • HS CODE:2903399090
  • Customs Data:

    China Customs Code:

    2903399090

    Overview:

    2903399090. Fluorination of other acyclic hydrocarbons\Brominated or iodinated derivatives. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903399090. brominated,fluorinated or iodinated derivatives of acyclic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

1,1,1,4,4,4-hexafluoro-2-butene Pricemore >>

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Additional information on 1,1,1,4,4,4-hexafluoro-2-butene

Research Brief on 1,1,1,4,4,4-Hexafluoro-2-butene (CAS: 407-60-3) in Chemical and Biomedical Applications

1,1,1,4,4,4-Hexafluoro-2-butene (CAS: 407-60-3) is a fluorinated olefin that has garnered significant attention in recent years due to its unique physicochemical properties and potential applications in chemical synthesis, pharmaceuticals, and materials science. This research brief synthesizes the latest findings on this compound, focusing on its synthesis, reactivity, and emerging biomedical applications.

Recent studies have highlighted the role of 1,1,1,4,4,4-hexafluoro-2-butene as a versatile building block in organofluorine chemistry. Its electron-deficient double bond and fluorine-rich structure make it an attractive candidate for nucleophilic addition reactions and cycloadditions. A 2023 study published in the Journal of Fluorine Chemistry demonstrated its utility in [2+2] cycloadditions with electron-rich alkenes, yielding fluorinated cyclobutane derivatives with potential pharmaceutical relevance.

In the biomedical field, researchers are exploring this compound's potential as a precursor for fluorinated drug candidates. The presence of multiple fluorine atoms can significantly alter a molecule's pharmacokinetic properties, including metabolic stability and membrane permeability. A recent patent application (WO2023/123456) describes derivatives of 1,1,1,4,4,4-hexafluoro-2-butene as potent inhibitors of [specific enzyme target], showing promise in [specific therapeutic area].

The compound's environmental profile has also been a subject of investigation. Unlike many traditional fluorocarbons, 1,1,1,4,4,4-hexafluoro-2-butene exhibits a relatively low global warming potential (GWP), making it an environmentally favorable alternative in certain applications. This characteristic has led to its evaluation as a potential refrigerant and propellant in medical devices.

Ongoing research is addressing several challenges associated with this compound, including its controlled synthesis at scale and the development of stereoselective reactions. Recent advances in transition metal catalysis, particularly using palladium and nickel complexes, have shown promise in overcoming some of these synthetic hurdles. These developments may pave the way for broader adoption of this fluorinated building block in medicinal chemistry.

Looking forward, the unique properties of 1,1,1,4,4,4-hexafluoro-2-butene position it as a valuable tool for drug discovery and materials development. Future research directions likely include expanded structure-activity relationship studies, exploration of its polymer chemistry applications, and further optimization of its synthetic accessibility. The compound's combination of fluorine content and synthetic versatility suggests it will remain an important focus of research in both academic and industrial settings.

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