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CS-W001157 4
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tert-Butyl 4-fluoro-3-nitrobenzoate

  • CAS No. 579514-75-3

  • Cat. No. CS-0129391
  • Molecule weight241.22
  • Purity≥98%
  • MDL No.MFCD16620871

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

tert-Butyl 4-fluoro-3-nitrobenzoate|CS-0129391

Structure of 579514-75-3

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General Information

  • CAS No. 579514-75-3
  • Cat. No. CS-0129391
  • Purity ≥98%
  • MDL No. MFCD16620871
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂FNO₄
  • Molecular Weight 241.22
  • Synonym(s) ptert-butyl 4-fluoro-3-nitrobenzoate
  • SMILES O=C(OC(C)(C)C)C1=CC=C(F)C([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • BAYER HEALTHCARE AG Patent: WO2005/28451 A1, 2005 ; Location in patent: Page/Page column 28 ;
  • Route2

    References

    • CURIS, INC. Patent: WO2009/36051 A1, 2009 ; Location in patent: Page/Page column 57 ; WO 2009/036051 A1
  • Route3

    References

    • ARRAY BIOPHARMA INC. Patent: WO2009/158426 A1, 2009 ; Location in patent: Page/Page column 110 ; WO 2009/158426 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.6892
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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