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CS-W001157 4
Total: USD 88.00

5-Bromo-2-hydroxycyclohepta-2,4,6-trien-1-one

  • CAS No. 3172-00-7

  • Cat. No. CS-0571597
  • Purity≥98%
  • MDL No.None

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

5-Bromo-2-hydroxycyclohepta-2,4,6-trien-1-one|CS-0571597

Structure of 3172-00-7

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General Information

  • CAS No. 3172-00-7
  • Cat. No. CS-0571597
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrO₂
  • Molecular Weight 201.02
  • Synonym(s) 5-Bromotropolone
  • SMILES C1=CC(=O)C(=CC=C1Br)O

Synthesis

  • Route1
    • null|null
      102064-70-0
    • ~75%
    • 5-Bromo-2-hydroxycyclohepta-2,4,6-trien-1-one|CS-0571597
      3172-00-7

    References

    • Amon, Catherine M.; Banwell, Martin G.; Gravatt, G.Lance Journal of Organic Chemistry, 1987 , vol. 52, # 22 p. 4851 - 4855
  • Route2
    • null|null
      669051-41-6
    • ~%
    • 5-Bromo-2-hydroxycyclohepta-2,4,6-trien-1-one|CS-0571597
      3172-00-7

    References

    • Deveau, Amy Morin; Macdonald, Timothy L. Tetrahedron Letters, 2004 , vol. 45, # 4 p. 803 - 807
  • Route3
    • null|null
      1422-61-3
    • ~%
    • 5-Bromo-2-hydroxycyclohepta-2,4,6-trien-1-one|CS-0571597
      3172-00-7

    References

    • Brasen,W.R. et al. Journal of the American Chemical Society, 1961 , vol. 83, p. 3125 - 3135

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.5149
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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