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CS-W001157 4
Total: USD 88.00

Methyl 2-(4-fluoro-3-nitrophenyl)acetate

  • CAS No. 226888-37-5

  • Cat. No. CS-0042132
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(4-fluoro-3-nitrophenyl)acetate|CS-0042132

Structure of 226888-37-5

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General Information

  • CAS No. 226888-37-5
  • Cat. No. CS-0042132
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈FNO₄
  • Molecular Weight 213.16
  • Synonym(s) 4-fluoro-3-nitrophenylacetic acid methyl ester
  • SMILES O=C(OC)CC1=CC=C(F)C([N+]([O-])=O)=C1

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      2-(4-Fluoro-3-nitrophenyl)acetic acid|CS-W006625
      192508-36-4
    • ~85%
    • In-stock
      Methyl 2-(4-fluoro-3-nitrophenyl)acetate|CS-0042132
      226888-37-5

    References

    • NEUROSEARCH A/S Patent: WO2004/89912 A1, 2004 ; Location in patent: Page 25 ; WO 2004/089912 A1
  • Route2
    • null|null
      67-56-1
    • In-stock
      2-(4-Fluoro-3-nitrophenyl)acetonitrile|CS-0094387
      157662-77-6
    • ~84%
    • In-stock
      Methyl 2-(4-fluoro-3-nitrophenyl)acetate|CS-0042132
      226888-37-5

    References

    • Beugelmans, Rene; Roussi, Georges; Zamora, Eduardo Gonzalez; Carbonnelle, Annie-Claude Tetrahedron, 1999 , vol. 55, # 16 p. 5089 - 5112
  • Route3
    • null|null
      67-56-1
    • null|null
      949570-83-6
    • ~42%
    • In-stock
      Methyl 2-(4-fluoro-3-nitrophenyl)acetate|CS-0042132
      226888-37-5

    References

    • Wang, Le; Sullivan, Gerard M.; Hexamer, Laura A.; Hasvold, Lisa A.; Thalji, Reema; Przytulinska, Magdalena; Tao, Zhi-Fu; Li, Gaoquan; Chen, Zehan; Xiao, Zhan; Gu, Wen-Zhen; Xue, John; Bui, Mai-Ha; Merta, Philip; Kovar, Peter; Bouska, Jennifer J.; Zhang, Haiying; Park, Chang; Stewart, Kent D.; Sham, Hing L.; Sowin, Thomas J.; Rosenberg, Saul H.; Lin, Nan-Horng Journal of Medicinal Chemistry, 2007 , vol. 50, # 17 p. 4162 - 4176

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   1.4494
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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