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CS-W001157 4
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5-(Thiophen-2-yl)cyclohexane-1,3-dione

  • CAS No. 23994-65-2

  • Cat. No. CS-0314179
  • Molecule weight194.25
  • Purity≥98%
  • MDL No.None

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

5-(Thiophen-2-yl)cyclohexane-1,3-dione|CS-0314179

Structure of 23994-65-2

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General Information

  • CAS No. 23994-65-2
  • Cat. No. CS-0314179
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂S
  • Molecular Weight 194.25
  • Synonym(s) 5-(2-Thienyl)cyclohexane-1,3-dione
  • SMILES C1=CSC(=C1)C2CC(=O)CC(=O)C2

Synthesis

  • Route1
    • 4-(Thiophen-2-yl)but-3-en-2-one|CS-0182830
      874-83-9
    • null|null
      105-53-3
    • ~70%
    • 5-(Thiophen-2-yl)cyclohexane-1,3-dione|CS-0314179
      23994-65-2

    References

    • UNIVERSITY OF ROCHESTER; SOUTHERN RESEARCH INSTITUTE; GOLDFARB, David, S.; MADDRY, Joseph, A.; RASMUSSEN, Lynn; WHITE, Ellie, Lucile; WENNERBERG, Krister Patent: WO2011/62964 A1, 2011 ; Location in patent: Page/Page column 19 ;
  • Route2

    References

    • WO2011/62964 A1, ;

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   34.14
  • LogP   2.1538
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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