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CS-W001157 4
Total: USD 88.00

1,3-Dihydro-5-(trifluoromethoxy)-2H-benzimidazol-2-one

  • CAS No. 877681-12-4

  • Cat. No. CS-0211520
  • Molecule weight218.13
  • Purity≥98%
  • MDL No.MFCD05663530

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

1,3-Dihydro-5-(trifluoromethoxy)-2H-benzimidazol-2-one|CS-0211520

Structure of 877681-12-4

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General Information

  • CAS No. 877681-12-4
  • Cat. No. CS-0211520
  • Purity ≥98%
  • MDL No. MFCD05663530
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃N₂O₂
  • Molecular Weight 218.13
  • Synonym(s) 5-TRIFLUOROMETHOXY-1,3-DIHYDRO-BENZIMIDAZOL-2-ONE
  • SMILES O=C1NC2=CC(OC(F)(F)F)=CC=C2N1

Synthesis

  • Route1

    References

    • GLAXO GROUP LIMITED Patent: WO2008/129007 A1, 2008 ; Location in patent: Page/Page column 40 ; WO 2008/129007 A1
  • Route2
    • In-stock
      4-(Trifluoromethoxy)benzene-1,2-diamine|CS-W006388
      658-89-9
    • null|null
      530-62-1
    • ~86%
    • In-stock
      1,3-Dihydro-5-(trifluoromethoxy)-2H-benzimidazol-2-one|CS-0211520
      877681-12-4

    References

    • Liu, Weiguo; Lau, Fiona; Liu, Kun; Wood, Harold B.; Zhou, Gaochao; Chen, Yuli; Li, Ying; Akiyama, Taro E.; Castriota, Gino; Einstein, Monica; Wang, Chualin; McCann, Margaret E.; Doebber, Thomas W.; Wu, Margaret; Chang, Ching H.; McNamara, Lesley; McKeever, Brian; Mosley, Ralph T.; Berger, Joel P.; Meinke, Peter T. Journal of Medicinal Chemistry, 2011 , vol. 54, # 24 p. 8541 - 8554
  • Route3
    • null|null
      1351534-05-8
    • ~%
    • In-stock
      1,3-Dihydro-5-(trifluoromethoxy)-2H-benzimidazol-2-one|CS-0211520
      877681-12-4

    References

    • Liu, Weiguo; Lau, Fiona; Liu, Kun; Wood, Harold B.; Zhou, Gaochao; Chen, Yuli; Li, Ying; Akiyama, Taro E.; Castriota, Gino; Einstein, Monica; Wang, Chualin; McCann, Margaret E.; Doebber, Thomas W.; Wu, Margaret; Chang, Ching H.; McNamara, Lesley; McKeever, Brian; Mosley, Ralph T.; Berger, Joel P.; Meinke, Peter T. Journal of Medicinal Chemistry, 2011 , vol. 54, # 24 p. 8541 - 8554

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   57.88
  • LogP   1.7548
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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