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CS-W001157 4
Total: USD 88.00

4-Fluoro-2-isopropoxy-1-nitrobenzene

  • CAS No. 28987-46-4

  • Cat. No. CS-0311803
  • Purity≥98%
  • MDL No.MFCD04115631

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

4-Fluoro-2-isopropoxy-1-nitrobenzene|CS-0311803

Structure of 28987-46-4

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General Information

  • CAS No. 28987-46-4
  • Cat. No. CS-0311803
  • Purity ≥98%
  • MDL No. MFCD04115631
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀FNO₃
  • Molecular Weight 199.18
  • Synonym(s) 4-fluoro-2-isopropoxynitrobenzene
  • SMILES O=[N+](C1=CC=C(F)C=C1OC(C)C)[O-]

Synthesis

  • Route1

    References

    • RIGEL PHARMACEUTICALS, INC.; SINGH, Rajinder; DUNCTON, Matthew; ZHANG, Jing; ALVAREZ, Salvador; TSO, Kin; HOLLAND, Sacha; YEN, Rose; KOLLURI, Rao; HECKRODT, Thilo; CHEN, Yan; MASUDA, Esteban; LI, Hui; PAYAN, Donald G.; KELLEY, Ryan Patent: WO2013/152198 A1, 2013 ; Location in patent: Paragraph 00587 ;
  • Route2

    References

    • H. LUNDBECK A/S Patent: WO2004/82677 A1, 2004 ; Location in patent: Page/Page column 108 ;
  • Route3

    References

    • Reitz, Allen B.; McDonnell, Mark E.; Baxter, Ellen W.; Codd, Ellen E.; Wu, Wu-Nan Bioorganic and Medicinal Chemistry Letters, 1997 , vol. 7, # 14 p. 1927 - 1930

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

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   2.5211
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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