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8-Fluoro-3,4-dihydro-2h-1,4-benzoxazin-3-one

  • CAS No. 560082-51-1

  • Cat. No. CS-0243321
  • Molecule weight167.14
  • Purity≥97%
  • MDL No.None

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

8-Fluoro-3,4-dihydro-2h-1,4-benzoxazin-3-one|CS-0243321

Structure of 560082-51-1

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General Information

  • CAS No. 560082-51-1
  • Cat. No. CS-0243321
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₂
  • Molecular Weight 167.14
  • Synonym(s) 8-FLUORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
  • SMILES O=C1NC2=CC=CC(F)=C2OC1

Synthesis

  • Route1
    • null|null
      698984-51-9
    • ~84%
    • 8-Fluoro-3,4-dihydro-2h-1,4-benzoxazin-3-one|CS-0243321
      560082-51-1

    References

    • SENEXIS LIMITED; HORWELL, David Christopher; SCOPES, David Ian Carter Patent: WO2011/144578 A1, 2011 ; Location in patent: Page/Page column 29; 30 ;
  • Route2

    References

    • Perry, Benjamin; Alexander, Rikki; Bennett, Gavin; Buckley, George; Ceska, Tom; Crabbe, Tom; Dale, Verity; Gowers, Lewis; Horsley, Helen; James, Lynwen; Jenkins, Kerry; Crepy, Karen; Kulisa, Claire; Lightfoot, Helen; Lock, Chris; Mack, Stephen; Morgan, Trevor; Nicolas, Anne-Lise; Pitt, Will; Sabin, Verity; Wright, Sara Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 16 p. 4700 - 4704
  • Route3

    References

    • SENEXIS LIMITED; HORWELL, David Christopher; SCOPES, David Ian Carter Patent: WO2011/144578 A1, 2011 ;

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   38.33
  • LogP   1.1566
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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