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CS-W001157 4
Total: USD 88.00

6,7-Difluoro-3,4-dihydro-2h-1-benzothiopyran-4-one

  • CAS No. 1097802-78-2

  • Cat. No. CS-0260082
  • Purity≥95%
  • MDL No.None

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

6,7-Difluoro-3,4-dihydro-2h-1-benzothiopyran-4-one|CS-0260082

Structure of 1097802-78-2

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General Information

  • CAS No. 1097802-78-2
  • Cat. No. CS-0260082
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₂OS
  • Molecular Weight 200.21
  • Synonym(s) 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one
  • SMILES O=C1CCSC2=CC(F)=C(F)C=C12

Synthesis

  • Route1
    • 3-((3,4-Difluorophenyl)thio)propanoic acid|CS-0972274
      863667-96-3
    • ~66%
    • 6,7-Difluoro-3,4-dihydro-2h-1-benzothiopyran-4-one|CS-0260082
      1097802-78-2

    References

    • Guo, Dexiang; Liu, Yajing; Li, Ting; Wang, Nan; Zhai, Xin; Hu, Chun; Gong, Ping Science China Chemistry, 2012 , vol. 55, # 3 p. 347 - 351
  • Route2

    References

    • Song, Jiangli; Jones, Lindsay M.; Kumar, G. D. Kishore; Conner, Elizabeth S.; Bayeh, Liela; Chavarria, Gustavo E.; Charlton-Sevcik, Amanda K.; Chen, Shen-En; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 6 p. 450 - 453

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.6433
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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