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2,3,5,6-Tetrafluorocyclohexa-2,5-diene-1,4-dione

  • CAS No. 527-21-9

  • Cat. No. CS-0103065
  • Molecule weight180.06
  • Purity≥98%
  • MDL No.MFCD00001592

*For research and further manufacturing use only, not for direct human use.

2,3,5,6-Tetrafluorocyclohexa-2,5-diene-1,4-dione|CS-0103065

Structure of 527-21-9

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General Information

  • CAS No. 527-21-9
  • Cat. No. CS-0103065
  • Purity ≥98%
  • MDL No. MFCD00001592
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆F₄O₂
  • Molecular Weight 180.06
  • Synonym(s) Tetrafluoro-p-benzoquinone~Tetrafluoro-1,4-benzoquinone
  • SMILES O=C1C(F)=C(F)C(C(F)=C1F)=O

Description

Tetrafluoro-1,4-benzoquinone is a fluorinated building block, commonly used as a precursor for fluoro derivatives.Tetrafluoro-1,4-benzoquinone (fluoranil) can be used to prepare: Symmetrical or unsymmetrical ethers by coupling of two alcohols via the oxidation-reduction condensation reaction. Azocino[4,3-b]indole scaffold, which is used as an inetermediate to prepare ()-dasycarpidone. Chiral and racemic charge-transfer (CT) complexes with binaphthol.

Synthesis

  • Route1
    • null|null
      771-63-1
    • ~96%
    • In-stock
      2,3,5,6-Tetrafluorocyclohexa-2,5-diene-1,4-dione|CS-0103065
      527-21-9

    References

    • Essers, Michael; Haufe, Guenter Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 23 p. 2719 - 2728
  • Route2

    References

    • Lemal, David M.; Ramanathan, Sudharsanam; Shellito, John Journal of Organic Chemistry, 2008 , vol. 73, # 9 p. 3392 - 3396
  • Route3
    • null|null
      17540-47-5
    • ~%
    • In-stock
      2,3,5,6-Tetrafluorocyclohexa-2,5-diene-1,4-dione|CS-0103065
      527-21-9
    • 3,4,5,6-Tetrafluorocyclohexa-3,5-diene-1,2-dione|CS-1148010
      1423-12-7

    References

    • Gmelin Handbook: F: PerFHalOrg.8, 2.4, page 2 - 54

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.4394
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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