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CS-W001157 4
Total: USD 88.00

1-Bromo-4-(cyclopentanesulfonyl)benzene

  • CAS No. 173387-45-6

  • Cat. No. CS-0209117
  • Molecule weight289.19
  • Purity≥98%
  • MDL No.MFCD20441888

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

1-Bromo-4-(cyclopentanesulfonyl)benzene|CS-0209117

Structure of 173387-45-6

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General Information

  • CAS No. 173387-45-6
  • Cat. No. CS-0209117
  • Purity ≥98%
  • MDL No. MFCD20441888
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃BrO₂S
  • Molecular Weight 289.19
  • Synonym(s) 1-BroMo-4-(cyclopentylsulfonyl)benzene
  • SMILES C1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Synthesis

  • Route1
    • (4-Bromophenyl)(cyclopentyl)sulfane|CS-0778100
      141622-72-2
    • ~%
    • 1-Bromo-4-(cyclopentanesulfonyl)benzene|CS-0209117
      173387-45-6

    References

    • Semple, Graeme; Santora, Vincent J.; Smith, Jeffrey M.; Covel, Jonathan A.; Hayashi, Rena; Gallardo, Charlemagne; Ibarra, Jason B.; Schultz, Jeffrey A.; Park, Douglas M.; Estrada, Scott A.; Hofilena, Brian J.; Smith, Brian M.; Ren, Albert; Suarez, Marissa; Frazer, John; Edwards, Jeffrey E.; Hart, Ryan; Hauser, Erin K.; Lorea, Jodie; Grottick, Andrew J. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 71 - 75
  • Route2

    References

    • Akzo Nobel N.V. Patent: US5620966 A1, 1997 ; US 5620966 A
  • Route3

    References

    • Semple, Graeme; Santora, Vincent J.; Smith, Jeffrey M.; Covel, Jonathan A.; Hayashi, Rena; Gallardo, Charlemagne; Ibarra, Jason B.; Schultz, Jeffrey A.; Park, Douglas M.; Estrada, Scott A.; Hofilena, Brian J.; Smith, Brian M.; Ren, Albert; Suarez, Marissa; Frazer, John; Edwards, Jeffrey E.; Hart, Ryan; Hauser, Erin K.; Lorea, Jodie; Grottick, Andrew J. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 71 - 75

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.1654
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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