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CS-W001157 4
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5-(3-Bromophenyl)cyclohexane-1,3-dione

  • CAS No. 144128-71-2

  • Cat. No. CS-B1090
  • Molecule weight267.12
  • Purity≥98%
  • MDL No.MFCD03844399

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

5-(3-Bromophenyl)cyclohexane-1,3-dione|CS-B1090

Structure of 144128-71-2

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General Information

  • CAS No. 144128-71-2
  • Cat. No. CS-B1090
  • Purity ≥98%
  • MDL No. MFCD03844399
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁BrO₂
  • Molecular Weight 267.12
  • Synonym(s) 5-(3-BROMO-PHENYL)-CYCLOHEXANE-1,3-DIONE
  • SMILES O=C1CC(CC(C2=CC=CC(Br)=C2)C1)=O

Synthesis

  • Route1
    • null|null
      26891-02-1
    • null|null
      105-53-3
    • ~%
    • 5-(3-Bromophenyl)cyclohexane-1,3-dione|CS-B1090
      144128-71-2

    References

    • Bioorganic and Medicinal Chemistry, , vol. 20, # 2 p. 1029 - 1045
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 35, # 19 p. 3429 - 3447
  • Route3
    • null|null
      26891-02-1
    • ~%
    • 5-(3-Bromophenyl)cyclohexane-1,3-dione|CS-B1090
      144128-71-2

    References

    • Journal of Medicinal Chemistry, , vol. 35, # 19 p. 3429 - 3447

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.8548
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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